N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C17H15N3OS — CID 861592

IUPACN-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H15N3OS/c1-2-20(16(21)14-8-10-18-11-9-14)17-19-15(12-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyUICMXBQQSJFTJH-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.87
Rot. Bonds4

About N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 861592) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID861592
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccncc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H15N3OS/c1-2-20(16(21)14-8-10-18-11-9-14)17-19-15(12-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyUICMXBQQSJFTJH-UHFFFAOYSA-N
XLogP3.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433301
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
CID 22433390
4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173513
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
3-(2-chlorophenyl)-1-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)urea
CID 22433545
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-fluorobenzamide
CID 1175983
N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173578

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 861592) is N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is CCN(C(=O)c1ccncc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is UICMXBQQSJFTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-2-20(16(21)14-8-10-18-11-9-14)17-19-15(12-22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 861592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).