N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide

C16H19N3O2S — CID 41113077

IUPACN-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C16H19N3O2S/c1-3-11(2)13(15(21)19-16-17-9-10-22-16)18-14(20)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3,(H,18,20)(H,17,19,21)/t11-,13+/m0/s1
InChIKeyKLQWWCPERIVXIS-WCQYABFASA-N
MW317.41 g/mol
LogP2.93
Rot. Bonds6

About N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide

N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide (PubChem CID 41113077) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
PubChem CID41113077
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C16H19N3O2S/c1-3-11(2)13(15(21)19-16-17-9-10-22-16)18-14(20)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3,(H,18,20)(H,17,19,21)/t11-,13+/m0/s1
InChIKeyKLQWWCPERIVXIS-WCQYABFASA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113076
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-[(2R,3S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
CID 7361927
N-[(2S,3S)-1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 8927054
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179
2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide?
The IUPAC name of N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide (CID 41113077) is N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide.
What is the SMILES notation for N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide?
The canonical SMILES for N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide is CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide?
The InChIKey is KLQWWCPERIVXIS-WCQYABFASA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-11(2)13(15(21)19-16-17-9-10-22-16)18-14(20)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3,(H,18,20)(H,17,19,21)/t11-,13+/m0/s1.
What are the key properties of N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide?
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide has a molecular weight of 317.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 41113077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).