(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C12H16N6OS — CID 97283816

IUPAC(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCC[C@@H]2c2nccs2)nn1
InChIInChI=1S/C12H16N6OS/c1-2-17-8-10(15-16-17)14-12(19)18-6-3-4-9(18)11-13-5-7-20-11/h5,7-9H,2-4,6H2,1H3,(H,14,19)/t9-/m1/s1
InChIKeyVDUUFHAAPFNMLI-SECBINFHSA-N
MW292.37 g/mol
LogP2.12
Rot. Bonds3

About (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 97283816) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID97283816
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCC[C@@H]2c2nccs2)nn1
InChIInChI=1S/C12H16N6OS/c1-2-17-8-10(15-16-17)14-12(19)18-6-3-4-9(18)11-13-5-7-20-11/h5,7-9H,2-4,6H2,1H3,(H,14,19)/t9-/m1/s1
InChIKeyVDUUFHAAPFNMLI-SECBINFHSA-N
XLogP2.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
(2R)-N-(4-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
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2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(2R)-N-(2,6-difluorophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
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N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 118780330
2-(5-aminotetrazol-1-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 99972667
N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 118790272
(2S)-N-(6-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97434584
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 42394571
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
(2R)-N-(1,3-benzodioxol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 97283816) is (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is CCn1cc(NC(=O)N2CCC[C@@H]2c2nccs2)nn1.
What is the InChIKey of (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VDUUFHAAPFNMLI-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-2-17-8-10(15-16-17)14-12(19)18-6-3-4-9(18)11-13-5-7-20-11/h5,7-9H,2-4,6H2,1H3,(H,14,19)/t9-/m1/s1.
What are the key properties of (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 292.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-ethyltriazol-4-yl)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97283816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).