2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine

C84H119N15O16S4 — CID 159742996

IUPAC2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine
SMILESC.CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)Nc1nccs1.CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O.COc1cccc(C(=O)NC(CC2CCCCC2)C(=O)Nc2nccs2)c1N.COc1cccc(C(=O)O)c1N.COc1cccc2c(=O)n(C(CC3CCCCC3)C(=O)Nc3nccs3)cnc12.Nc1nccs1
InChIInChI=1S/C21H24N4O3S.C20H26N4O3S.C17H27N3O3S.C14H25NO4.C8H9NO3.C3H4N2S.CH4/c1-28-17-9-5-8-15-18(17)23-13-25(20(15)27)16(12-14-6-3-2-4-7-14)19(26)24-21-22-10-11-29-21;1-27-16-9-5-8-14(17(16)21)18(25)23-15(12-13-6-3-2-4-7-13)19(26)24-20-22-10-11-28-20;1-17(2,3)23-16(22)19-13(11-12-7-5-4-6-8-12)14(21)20-15-18-9-10-24-15;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-12-6-4-2-3-5(7(6)9)8(10)11;4-3-5-1-2-6-3;/h5,8-11,13-14,16H,2-4,6-7,12H2,1H3,(H,22,24,26);5,8-11,13,15H,2-4,6-7,12,21H2,1H3,(H,23,25)(H,22,24,26);9-10,12-13H,4-8,11H2,1-3H3,(H,19,22)(H,18,20,21);10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17);2-4H,9H2,1H3,(H,10,11);1-2H,(H2,4,5);1H4
InChIKeyNCRQSFLKGHVVLG-UHFFFAOYSA-N
MW1723.23 g/mol
LogP16.67
Rot. Bonds24

About 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine

2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine (PubChem CID 159742996) has the molecular formula C84H119N15O16S4 and a molecular weight of 1723.23 g/mol. Its IUPAC name is 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine
PubChem CID159742996
Molecular FormulaC84H119N15O16S4
Molecular Weight1723.23 g/mol
Exact Mass1721.78
IUPAC Name2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine
SMILESC.CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)Nc1nccs1.CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O.COc1cccc(C(=O)NC(CC2CCCCC2)C(=O)Nc2nccs2)c1N.COc1cccc(C(=O)O)c1N.COc1cccc2c(=O)n(C(CC3CCCCC3)C(=O)Nc3nccs3)cnc12.Nc1nccs1
InChIInChI=1S/C21H24N4O3S.C20H26N4O3S.C17H27N3O3S.C14H25NO4.C8H9NO3.C3H4N2S.CH4/c1-28-17-9-5-8-15-18(17)23-13-25(20(15)27)16(12-14-6-3-2-4-7-14)19(26)24-21-22-10-11-29-21;1-27-16-9-5-8-14(17(16)21)18(25)23-15(12-13-6-3-2-4-7-13)19(26)24-20-22-10-11-28-20;1-17(2,3)23-16(22)19-13(11-12-7-5-4-6-8-12)14(21)20-15-18-9-10-24-15;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-12-6-4-2-3-5(7(6)9)8(10)11;4-3-5-1-2-6-3;/h5,8-11,13-14,16H,2-4,6-7,12H2,1H3,(H,22,24,26);5,8-11,13,15H,2-4,6-7,12,21H2,1H3,(H,23,25)(H,22,24,26);9-10,12-13H,4-8,11H2,1-3H3,(H,19,22)(H,18,20,21);10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17);2-4H,9H2,1H3,(H,10,11);1-2H,(H2,4,5);1H4
InChIKeyNCRQSFLKGHVVLG-UHFFFAOYSA-N
XLogP16.67
TPSA459.86 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001723.23
LogP ≤ 516.67
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine?
The IUPAC name of 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine (CID 159742996) is 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine.
What is the SMILES notation for 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine?
The canonical SMILES for 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine is C.CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)Nc1nccs1.CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O.COc1cccc(C(=O)NC(CC2CCCCC2)C(=O)Nc2nccs2)c1N.COc1cccc(C(=O)O)c1N.COc1cccc2c(=O)n(C(CC3CCCCC3)C(=O)Nc3nccs3)cnc12.Nc1nccs1.
What is the InChIKey of 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine?
The InChIKey is NCRQSFLKGHVVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S.C20H26N4O3S.C17H27N3O3S.C14H25NO4.C8H9NO3.C3H4N2S.CH4/c1-28-17-9-5-8-15-18(17)23-13-25(20(15)27)16(12-14-6-3-2-4-7-14)19(26)24-21-22-10-11-29-21;1-27-16-9-5-8-14(17(16)21)18(25)23-15(12-13-6-3-2-4-7-13)19(26)24-20-22-10-11-28-20;1-17(2,3)23-16(22)19-13(11-12-7-5-4-6-8-12)14(21)20-15-18-9-10-24-15;1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-12-6-4-2-3-5(7(6)9)8(10)11;4-3-5-1-2-6-3;/h5,8-11,13-14,16H,2-4,6-7,12H2,1H3,(H,22,24,26);5,8-11,13,15H,2-4,6-7,12,21H2,1H3,(H,23,25)(H,22,24,26);9-10,12-13H,4-8,11H2,1-3H3,(H,19,22)(H,18,20,21);10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17);2-4H,9H2,1H3,(H,10,11);1-2H,(H2,4,5);1H4.
What are the key properties of 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine?
2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine has a molecular weight of 1723.23 g/mol, XLogP of 16.67, 24 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3-methoxybenzamide;2-amino-3-methoxybenzoic acid;tert-butyl N-[3-cyclohexyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate;3-cyclohexyl-2-(8-methoxy-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide;3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;methane;1,3-thiazol-2-amine is sourced from PubChem (CID 159742996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).