(2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride

C8H11Cl2N3OS — CID 130962020

IUPAC(2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(Cl)s1)[C@@H]1CCCN1
InChIInChI=1S/C8H10ClN3OS.ClH/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5;/h4-5,10H,1-3H2,(H,11,12,13);1H/t5-;/m0./s1
InChIKeyQNYVTRSGXHCUQF-JEDNCBNOSA-N
MW268.17 g/mol
LogP1.91
Rot. Bonds2

About (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130962020) has the molecular formula C8H11Cl2N3OS and a molecular weight of 268.17 g/mol. Its IUPAC name is (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID130962020
Molecular FormulaC8H11Cl2N3OS
Molecular Weight268.17 g/mol
Exact Mass267.00
IUPAC Name(2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(Cl)s1)[C@@H]1CCCN1
InChIInChI=1S/C8H10ClN3OS.ClH/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5;/h4-5,10H,1-3H2,(H,11,12,13);1H/t5-;/m0./s1
InChIKeyQNYVTRSGXHCUQF-JEDNCBNOSA-N
XLogP1.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130763232
N-(5-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 119287690
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
CID 88938252
CID 88938252
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301292
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833
(2S)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119290959
N-(6-chloropyridazin-3-yl)pyrrolidine-2-carboxamide
CID 115626531
(2R)-N-(thiadiazol-5-yl)piperidine-2-carboxamide
CID 104982945

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 130962020) is (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ncc(Cl)s1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QNYVTRSGXHCUQF-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H10ClN3OS.ClH/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5;/h4-5,10H,1-3H2,(H,11,12,13);1H/t5-;/m0./s1.
What are the key properties of (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 268.17 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130962020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).