N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C20H14N4OS — CID 2094701

IUPACN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cnccn1
InChIInChI=1S/C20H14N4OS/c25-19(17-12-21-10-11-22-17)24-20-23-18(13-26-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,23,24,25)
InChIKeyFZVOSFJDUXXRFB-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.52
Rot. Bonds4

About N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 2094701) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID2094701
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC NameN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cnccn1
InChIInChI=1S/C20H14N4OS/c25-19(17-12-21-10-11-22-17)24-20-23-18(13-26-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,23,24,25)
InChIKeyFZVOSFJDUXXRFB-UHFFFAOYSA-N
XLogP4.52
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
Thiazovivin
CID 46209426
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829060
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(4-methyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 9463355
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
3-Pyridinecarboxamide, N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 2576416

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 2094701) is N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cnccn1.
What is the InChIKey of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is FZVOSFJDUXXRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c25-19(17-12-21-10-11-22-17)24-20-23-18(13-26-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,23,24,25).
What are the key properties of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 2094701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).