N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide

C18H12N4OS — CID 2409476

IUPACN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cnccn1
InChIInChI=1S/C18H12N4OS/c23-17(15-10-19-8-9-20-15)22-18-21-16(11-24-18)14-7-3-5-12-4-1-2-6-13(12)14/h1-11H,(H,21,22,23)
InChIKeyMMAGTBPUIVKWLA-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.01
Rot. Bonds3

About N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 2409476) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
PubChem CID2409476
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cnccn1
InChIInChI=1S/C18H12N4OS/c23-17(15-10-19-8-9-20-15)22-18-21-16(11-24-18)14-7-3-5-12-4-1-2-6-13(12)14/h1-11H,(H,21,22,23)
InChIKeyMMAGTBPUIVKWLA-UHFFFAOYSA-N
XLogP4.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-methyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 9463355
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
4-Thiazolecarboxamide, N-[5-[[[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino]thioxomethyl]amino]-2-pyridinyl]-
CID 3010086
Pitcoin1
CID 146269107
Pitcoin3
CID 146269130
N-{[4-(4-phenyl-1,3-thiazol-2-yl)-1-piperazinyl]carbothioyl}nicotinamide
CID 1017558
2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 1180751
N-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)pyrazine-2-carboxamide
CID 2094701
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 2106098
N-[5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]carbamothioylamino]-2-pyridyl]thiazole-4-carboxamide
CID 3010085

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide (CID 2409476) is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide is O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cnccn1.
What is the InChIKey of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is MMAGTBPUIVKWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c23-17(15-10-19-8-9-20-15)22-18-21-16(11-24-18)14-7-3-5-12-4-1-2-6-13(12)14/h1-11H,(H,21,22,23).
What are the key properties of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide?
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 2409476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).