(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C18H16N4O3S — CID 55937479

IUPAC(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C18H16N4O3S/c23-16(14-6-3-9-22(14)17(24)15-7-4-10-25-15)21-18-20-13(11-26-18)12-5-1-2-8-19-12/h1-2,4-5,7-8,10-11,14H,3,6,9H2,(H,20,21,23)/t14-/m0/s1
InChIKeyPIZPPSQGLOIZKI-AWEZNQCLSA-N
MW368.42 g/mol
LogP3.04
Rot. Bonds4

About (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 55937479) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID55937479
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C18H16N4O3S/c23-16(14-6-3-9-22(14)17(24)15-7-4-10-25-15)21-18-20-13(11-26-18)12-5-1-2-8-19-12/h1-2,4-5,7-8,10-11,14H,3,6,9H2,(H,20,21,23)/t14-/m0/s1
InChIKeyPIZPPSQGLOIZKI-AWEZNQCLSA-N
XLogP3.04
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843116
1-(3,5-dichlorobenzoyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 55722578
1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 55339409
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 47047629
(2S)-1-(furan-2-carbonyl)-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 86896513
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
2-(furan-2-carbonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 112760830
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
1-(furan-2-carbonyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 55364216

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 55937479) is (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is PIZPPSQGLOIZKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-16(14-6-3-9-22(14)17(24)15-7-4-10-25-15)21-18-20-13(11-26-18)12-5-1-2-8-19-12/h1-2,4-5,7-8,10-11,14H,3,6,9H2,(H,20,21,23)/t14-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55937479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).