2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H26N4O2S — CID 11349692

IUPAC2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC[C@H](C)Nc1nc(C)c(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)s1
InChIInChI=1S/C20H26N4O2S/c1-5-12(3)21-20-22-13(4)17(27-20)19(26)24-16-10-14(7-6-11(16)2)18(25)23-15-8-9-15/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,21,22)(H,23,25)(H,24,26)/t12-/m0/s1
InChIKeyJLZTVFRCFMGRGG-LBPRGKRZSA-N
MW386.52 g/mol
LogP4.11
Rot. Bonds7

About 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 11349692) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID11349692
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC[C@H](C)Nc1nc(C)c(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)s1
InChIInChI=1S/C20H26N4O2S/c1-5-12(3)21-20-22-13(4)17(27-20)19(26)24-16-10-14(7-6-11(16)2)18(25)23-15-8-9-15/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,21,22)(H,23,25)(H,24,26)/t12-/m0/s1
InChIKeyJLZTVFRCFMGRGG-LBPRGKRZSA-N
XLogP4.11
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-3-[[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 91644928
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856
3-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylbenzoic acid
CID 119219452
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide
CID 11750521
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(propylamino)pyridine-4-carboxamide
CID 59761490
(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 95280169
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate
CID 58328161

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 11349692) is 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide is CC[C@H](C)Nc1nc(C)c(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)s1.
What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JLZTVFRCFMGRGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-5-12(3)21-20-22-13(4)17(27-20)19(26)24-16-10-14(7-6-11(16)2)18(25)23-15-8-9-15/h6-7,10,12,15H,5,8-9H2,1-4H3,(H,21,22)(H,23,25)(H,24,26)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]amino]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11349692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).