(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

C9H13N3OS — CID 94916816

IUPAC(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1nccs1)[C@H]1CCNC1
InChIInChI=1S/C9H13N3OS/c13-9(7-1-2-10-5-7)12-6-8-11-3-4-14-8/h3-4,7,10H,1-2,5-6H2,(H,12,13)/t7-/m0/s1
InChIKeyNQNNNMGTUHTADK-ZETCQYMHSA-N
MW211.29 g/mol
LogP0.37
Rot. Bonds3

About (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 94916816) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID94916816
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1nccs1)[C@H]1CCNC1
InChIInChI=1S/C9H13N3OS/c13-9(7-1-2-10-5-7)12-6-8-11-3-4-14-8/h3-4,7,10H,1-2,5-6H2,(H,12,13)/t7-/m0/s1
InChIKeyNQNNNMGTUHTADK-ZETCQYMHSA-N
XLogP0.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 119793176
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897431
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63006342
(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 94916818
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide (CID 94916816) is (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1nccs1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NQNNNMGTUHTADK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-9(7-1-2-10-5-7)12-6-8-11-3-4-14-8/h3-4,7,10H,1-2,5-6H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94916816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).