N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C21H15N3OS — CID 17473227

IUPACN,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1sc(-c2ccccn2)nc1-c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20(23-16-11-5-2-6-12-16)19-18(15-9-3-1-4-10-15)24-21(26-19)17-13-7-8-14-22-17/h1-14H,(H,23,25)
InChIKeyDCCMXMWNMOORBR-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.12
Rot. Bonds4

About N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 17473227) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID17473227
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC NameN,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1sc(-c2ccccn2)nc1-c1ccccc1
InChIInChI=1S/C21H15N3OS/c25-20(23-16-11-5-2-6-12-16)19-18(15-9-3-1-4-10-15)24-21(26-19)17-13-7-8-14-22-17/h1-14H,(H,23,25)
InChIKeyDCCMXMWNMOORBR-UHFFFAOYSA-N
XLogP5.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-phenyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
CID 60529003
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227073
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78890221
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 9356434

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 17473227) is N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is O=C(Nc1ccccc1)c1sc(-c2ccccn2)nc1-c1ccccc1.
What is the InChIKey of N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DCCMXMWNMOORBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-20(23-16-11-5-2-6-12-16)19-18(15-9-3-1-4-10-15)24-21(26-19)17-13-7-8-14-22-17/h1-14H,(H,23,25).
What are the key properties of N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17473227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).