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

C12H17N3OS — CID 98540107

IUPAC(3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H17N3OS/c1-7-5-13-6-8(7)11(16)15-12-14-9-3-2-4-10(9)17-12/h7-8,13H,2-6H2,1H3,(H,14,15,16)/t7-,8-/m1/s1
InChIKeyRJERVLDLRDMCLA-HTQZYQBOSA-N
MW251.35 g/mol
LogP1.43
Rot. Bonds2

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

(3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 98540107) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide
PubChem CID98540107
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name(3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H17N3OS/c1-7-5-13-6-8(7)11(16)15-12-14-9-3-2-4-10(9)17-12/h7-8,13H,2-6H2,1H3,(H,14,15,16)/t7-,8-/m1/s1
InChIKeyRJERVLDLRDMCLA-HTQZYQBOSA-N
XLogP1.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301
(3R,4S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120927079
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpiperidine-4-carboxamide
CID 106739831
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 114996558
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 112729141
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 119300571
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119277026
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 54963900
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031342

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide (CID 98540107) is (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide is C[C@@H]1CNC[C@H]1C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is RJERVLDLRDMCLA-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-5-13-6-8(7)11(16)15-12-14-9-3-2-4-10(9)17-12/h7-8,13H,2-6H2,1H3,(H,14,15,16)/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 98540107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).