3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide

C15H17N3O2S — CID 27262078

IUPAC3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C15H17N3O2S/c1-3-10(2)13(19)17-12-6-4-5-11(9-12)14(20)18-15-16-7-8-21-15/h4-10H,3H2,1-2H3,(H,17,19)(H,16,18,20)/t10-/m1/s1
InChIKeyUZHRSBZIKDAJSO-SNVBAGLBSA-N
MW303.39 g/mol
LogP3.38
Rot. Bonds5

About 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide

3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 27262078) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID27262078
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C15H17N3O2S/c1-3-10(2)13(19)17-12-6-4-5-11(9-12)14(20)18-15-16-7-8-21-15/h4-10H,3H2,1-2H3,(H,17,19)(H,16,18,20)/t10-/m1/s1
InChIKeyUZHRSBZIKDAJSO-SNVBAGLBSA-N
XLogP3.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043
3-[[2-[4-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1116727
3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321520
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17296385
3-[3-(2-methoxyphenyl)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361430
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299283
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 27262078) is 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide is CC[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is UZHRSBZIKDAJSO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-3-10(2)13(19)17-12-6-4-5-11(9-12)14(20)18-15-16-7-8-21-15/h4-10H,3H2,1-2H3,(H,17,19)(H,16,18,20)/t10-/m1/s1.
What are the key properties of 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 303.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 27262078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).