N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide

C23H24N4O2S — CID 11750521

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(N[C@@H](C)c2ccccc2)s1
InChIInChI=1S/C23H24N4O2S/c1-14-8-9-17(21(28)26-18-10-11-18)12-19(14)27-22(29)20-13-24-23(30-20)25-15(2)16-6-4-3-5-7-16/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,24,25)(H,26,28)(H,27,29)/t15-/m0/s1
InChIKeyWANWATWQEFZUIG-HNNXBMFYSA-N
MW420.54 g/mol
LogP4.77
Rot. Bonds7

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 11750521) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID11750521
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(N[C@@H](C)c2ccccc2)s1
InChIInChI=1S/C23H24N4O2S/c1-14-8-9-17(21(28)26-18-10-11-18)12-19(14)27-22(29)20-13-24-23(30-20)25-15(2)16-6-4-3-5-7-16/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,24,25)(H,26,28)(H,27,29)/t15-/m0/s1
InChIKeyWANWATWQEFZUIG-HNNXBMFYSA-N
XLogP4.77
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 11417033
4-methyl-3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 120522326
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 11186612
2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 11349692
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 167783479
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 59761393

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide (CID 11750521) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(N[C@@H](C)c2ccccc2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is WANWATWQEFZUIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-14-8-9-17(21(28)26-18-10-11-18)12-19(14)27-22(29)20-13-24-23(30-20)25-15(2)16-6-4-3-5-7-16/h3-9,12-13,15,18H,10-11H2,1-2H3,(H,24,25)(H,26,28)(H,27,29)/t15-/m0/s1.
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11750521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).