2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

C18H23N3O2S — CID 96534453

IUPAC2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc([C@H](C)NC(=O)c2ccccc2NC(=O)C(C)(C)C)cs1
InChIInChI=1S/C18H23N3O2S/c1-11(15-10-24-12(2)20-15)19-16(22)13-8-6-7-9-14(13)21-17(23)18(3,4)5/h6-11H,1-5H3,(H,19,22)(H,21,23)/t11-/m0/s1
InChIKeyKFDRPYSOTTXPQB-NSHDSACASA-N
MW345.47 g/mol
LogP3.93
Rot. Bonds4

About 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 96534453) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID96534453
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc([C@H](C)NC(=O)c2ccccc2NC(=O)C(C)(C)C)cs1
InChIInChI=1S/C18H23N3O2S/c1-11(15-10-24-12(2)20-15)19-16(22)13-8-6-7-9-14(13)21-17(23)18(3,4)5/h6-11H,1-5H3,(H,19,22)(H,21,23)/t11-/m0/s1
InChIKeyKFDRPYSOTTXPQB-NSHDSACASA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid
CID 3252927
2-hydroxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide
CID 167884060
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737213
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64556868
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 108737245
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 136524359
5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810873
4-(3-hydroxy-3-methylbutyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 56894427
(2R)-2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 2307063

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 96534453) is 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1nc([C@H](C)NC(=O)c2ccccc2NC(=O)C(C)(C)C)cs1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is KFDRPYSOTTXPQB-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11(15-10-24-12(2)20-15)19-16(22)13-8-6-7-9-14(13)21-17(23)18(3,4)5/h6-11H,1-5H3,(H,19,22)(H,21,23)/t11-/m0/s1.
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 345.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 96534453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).