2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C21H16N4OS — CID 121165498

IUPAC2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C21H16N4OS/c26-20(19-14-27-21(25-19)17-4-2-1-3-5-17)24-13-15-6-11-23-18(12-15)16-7-9-22-10-8-16/h1-12,14H,13H2,(H,24,26)
InChIKeyLPVOOTUZGSPDOC-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.20
Rot. Bonds5

About 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 121165498) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID121165498
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C21H16N4OS/c26-20(19-14-27-21(25-19)17-4-2-1-3-5-17)24-13-15-6-11-23-18(12-15)16-7-9-22-10-8-16/h1-12,14H,13H2,(H,24,26)
InChIKeyLPVOOTUZGSPDOC-UHFFFAOYSA-N
XLogP4.20
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
CID 121165463
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066403
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
N-(pyridin-4-ylmethyl)-2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066387

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 121165498) is 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ccnc(-c2ccncc2)c1)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LPVOOTUZGSPDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-20(19-14-27-21(25-19)17-4-2-1-3-5-17)24-13-15-6-11-23-18(12-15)16-7-9-22-10-8-16/h1-12,14H,13H2,(H,24,26).
What are the key properties of 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121165498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).