1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea

C19H29N5O2S2 — CID 3770311

IUPAC1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea
SMILESCNC(=S)N(C)NC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C19H29N5O2S2/c1-20-19(27)23(2)22-16(25)15-12-28-17(21-15)13-8-10-24(11-9-13)18(26)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,20,27)(H,22,25)
InChIKeyIATRAERLWIREQD-UHFFFAOYSA-N
MW423.61 g/mol
LogP2.51
Rot. Bonds3

About 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea

1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea (PubChem CID 3770311) has the molecular formula C19H29N5O2S2 and a molecular weight of 423.61 g/mol. Its IUPAC name is 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea.

Molecular Properties

Compound Name1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea
PubChem CID3770311
Molecular FormulaC19H29N5O2S2
Molecular Weight423.61 g/mol
Exact Mass423.18
IUPAC Name1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea
SMILESCNC(=S)N(C)NC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C19H29N5O2S2/c1-20-19(27)23(2)22-16(25)15-12-28-17(21-15)13-8-10-24(11-9-13)18(26)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,20,27)(H,22,25)
InChIKeyIATRAERLWIREQD-UHFFFAOYSA-N
XLogP2.51
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea with MolForge

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Related Compounds

1-[[2-[1-[2-(2-chlorophenoxy)-2-methylpropanoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea
CID 3870023
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-methyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 3499057
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(1,4-dimethylpiperazine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 5015255
N-(1-cyclohexylcyclopropyl)-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 141248256
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-carboxamide
CID 23789984
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide
CID 3329153
N'-methyl-N'-quinoxalin-2-yl-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3541032
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3859579
cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23732060
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3847560
methyl 2-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 3338980
N-(1,3-benzodioxol-5-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 3814797

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea?
The IUPAC name of 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea (CID 3770311) is 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea.
What is the SMILES notation for 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea?
The canonical SMILES for 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea is CNC(=S)N(C)NC(=O)c1csc(C2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea?
The InChIKey is IATRAERLWIREQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S2/c1-20-19(27)23(2)22-16(25)15-12-28-17(21-15)13-8-10-24(11-9-13)18(26)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,20,27)(H,22,25).
What are the key properties of 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea?
1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea has a molecular weight of 423.61 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-dimethylthiourea is sourced from PubChem (CID 3770311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).