carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium

C92H127N14O13PdS6- — CID 159342355

About carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium

carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium (PubChem CID 159342355) has the molecular formula C92H127N14O13PdS6- and a molecular weight of 1935.93 g/mol. Its IUPAC name is carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium.

Molecular Properties

• Compound Name: carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium
• PubChem CID: 159342355
• Molecular Formula: C92H127N14O13PdS6-
• Molecular Weight: 1935.93 g/mol
• Exact Mass: 1933.71
• IUPAC Name: carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium
• SMILES: C[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc(CC3=CCCCC3)cs2)C[C@@H]1CO.C[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc(CC3CCCCC3)cs2)C[C@@H]1CO.C[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc(CC3CCCCC3)cs2)C[C@@H]1COS(N)(=O)=O.NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(CC3CCCCC3)cs2)C[C@@H]1O.[CH3-].[H][H].[Pd]
• InChI: InChI=1S/C23H32N4O4S2.C23H31N3O2S.C23H29N3O2S.C22H30N4O5S2.CH3.Pd.H2/c1-15-7-19(10-18(15)12-31-33(24,29)30)27-23-20(11-25-14-26-23)22(28)21-9-17(13-32-21)8-16-5-3-2-4-6-16;2*1-15-7-19(10-18(15)12-27)26-23-20(11-24-14-25-23)22(28)21-9-17(13-29-21)8-16-5-3-2-4-6-16;23-33(29,30)31-11-16-8-17(9-19(16)27)26-22-18(10-24-13-25-22)21(28)20-7-15(12-32-20)6-14-4-2-1-3-5-14;;;/h9,11,13-16,18-19H,2-8,10,12H2,1H3,(H2,24,29,30)(H,25,26,27);9,11,13-16,18-19,27H,2-8,10,12H2,1H3,(H,24,25,26);5,9,11,13-15,18-19,27H,2-4,6-8,10,12H2,1H3,(H,24,25,26);7,10,12-14,16-17,19,27H,1-6,8-9,11H2,(H2,23,29,30)(H,24,25,26);1H3;;1H/q;;;;-1;;/t3*15-,18+,19-;16-,17-,19+;;;/m0001.../s1
• InChIKey: AENIHIMTMDPEMO-IKNQGVFDSA-N
• XLogP: 16.64
• TPSA: 418.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.93
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium?

The IUPAC name of carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium (CID 159342355) is carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium.

What is the SMILES notation for carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium?

The canonical SMILES for carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium is C[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc(CC3=CCCCC3)cs2)C[C@@H]1CO.C[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc(CC3CCCCC3)cs2)C[C@@H]1CO.C[C@H]1C[C@H](Nc2ncncc2C(=O)c2cc(CC3CCCCC3)cs2)C[C@@H]1COS(N)(=O)=O.NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(CC3CCCCC3)cs2)C[C@@H]1O.[CH3-].[H][H].[Pd].

What is the InChIKey of carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium?

The InChIKey is AENIHIMTMDPEMO-IKNQGVFDSA-N. The full InChI is InChI=1S/C23H32N4O4S2.C23H31N3O2S.C23H29N3O2S.C22H30N4O5S2.CH3.Pd.H2/c1-15-7-19(10-18(15)12-31-33(24,29)30)27-23-20(11-25-14-26-23)22(28)21-9-17(13-32-21)8-16-5-3-2-4-6-16;2*1-15-7-19(10-18(15)12-27)26-23-20(11-24-14-25-23)22(28)21-9-17(13-29-21)8-16-5-3-2-4-6-16;23-33(29,30)31-11-16-8-17(9-19(16)27)26-22-18(10-24-13-25-22)21(28)20-7-15(12-32-20)6-14-4-2-1-3-5-14;;;/h9,11,13-16,18-19H,2-8,10,12H2,1H3,(H2,24,29,30)(H,25,26,27);9,11,13-16,18-19,27H,2-8,10,12H2,1H3,(H,24,25,26);5,9,11,13-15,18-19,27H,2-4,6-8,10,12H2,1H3,(H,24,25,26);7,10,12-14,16-17,19,27H,1-6,8-9,11H2,(H2,23,29,30)(H,24,25,26);1H3;;1H/q;;;;-1;;/t3*15-,18+,19-;16-,17-,19+;;;/m0001.../s1.

What are the key properties of carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium?

carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium has a molecular weight of 1935.93 g/mol, XLogP of 16.64, 32 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[4-(cyclohexen-1-ylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;[(1R,2S,4R)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1S,2S,4S)-4-[[5-[4-(cyclohexylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-methylcyclopentyl]methyl sulfamate;[4-(cyclohexylmethyl)thiophen-2-yl]-[4-[[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]amino]pyrimidin-5-yl]methanone;molecular hydrogen;palladium is sourced from PubChem (CID 159342355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).