N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide

C16H17N3O2S — CID 94825571

IUPACN-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H17N3O2S/c1-10(17-15(21)11-6-3-2-4-7-11)14(20)19-16-18-12-8-5-9-13(12)22-16/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,21)(H,18,19,20)/t10-/m0/s1
InChIKeyBGVSTHQQZSVQET-JTQLQIEISA-N
MW315.40 g/mol
LogP2.39
Rot. Bonds4

About N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide

N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 94825571) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
PubChem CID94825571
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C16H17N3O2S/c1-10(17-15(21)11-6-3-2-4-7-11)14(20)19-16-18-12-8-5-9-13(12)22-16/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,21)(H,18,19,20)/t10-/m0/s1
InChIKeyBGVSTHQQZSVQET-JTQLQIEISA-N
XLogP2.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxypropanamide
CID 3302085
4-methyl-N-[(2S)-3-methyl-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butan-2-yl]benzamide
CID 40620562
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025680
3-methyl-N-[3-methyl-1-oxo-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)butan-2-yl]benzamide
CID 24603971
(2S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(methanesulfonamido)propanamide
CID 94155244
(2R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxy-2-phenylacetamide
CID 97311644
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
N-[(2S)-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 52901177
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
CID 79013354
4-ethoxy-N-[3-methyl-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)butan-2-yl]benzamide
CID 4532747
2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119300564

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide (CID 94825571) is N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is BGVSTHQQZSVQET-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10(17-15(21)11-6-3-2-4-7-11)14(20)19-16-18-12-8-5-9-13(12)22-16/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,21)(H,18,19,20)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 315.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 94825571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).