N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C19H18N4O2S2 — CID 78843116

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H18N4O2S2/c24-17(22-19-21-14(12-27-19)13-6-1-3-9-20-13)15-7-2-4-10-23(15)18(25)16-8-5-11-26-16/h1,3,5-6,8-9,11-12,15H,2,4,7,10H2,(H,21,22,24)
InChIKeyPJLZMXPKRKJWGG-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.90
Rot. Bonds4

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78843116) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78843116
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H18N4O2S2/c24-17(22-19-21-14(12-27-19)13-6-1-3-9-20-13)15-7-2-4-10-23(15)18(25)16-8-5-11-26-16/h1,3,5-6,8-9,11-12,15H,2,4,7,10H2,(H,21,22,24)
InChIKeyPJLZMXPKRKJWGG-UHFFFAOYSA-N
XLogP3.90
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55937479
1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 55339409
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55335865
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55331245
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
(2S)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41169360
N-(5-bromo-2-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844765
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 154736095

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78843116) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is PJLZMXPKRKJWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c24-17(22-19-21-14(12-27-19)13-6-1-3-9-20-13)15-7-2-4-10-23(15)18(25)16-8-5-11-26-16/h1,3,5-6,8-9,11-12,15H,2,4,7,10H2,(H,21,22,24).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78843116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).