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

C14H9FN4OS — CID 36539472

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)c1cnccn1
InChIInChI=1S/C14H9FN4OS/c15-10-3-1-2-9(6-10)12-8-21-14(18-12)19-13(20)11-7-16-4-5-17-11/h1-8H,(H,18,19,20)
InChIKeyPPUWHMMULOGLOA-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.99
Rot. Bonds3

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

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 36539472) has the molecular formula C14H9FN4OS and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID36539472
Molecular FormulaC14H9FN4OS
Molecular Weight300.32 g/mol
Exact Mass300.05
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)c1cnccn1
InChIInChI=1S/C14H9FN4OS/c15-10-3-1-2-9(6-10)12-8-21-14(18-12)19-13(20)11-7-16-4-5-17-11/h1-8H,(H,18,19,20)
InChIKeyPPUWHMMULOGLOA-UHFFFAOYSA-N
XLogP2.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 110443762
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 153338918
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 86913456
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 32622565
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 46629048
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134012243
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
3-(3-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 43068966
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75451205
3-(2,2-dimethylpropanoylamino)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30542317

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 36539472) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cnccn1.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is PPUWHMMULOGLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4OS/c15-10-3-1-2-9(6-10)12-8-21-14(18-12)19-13(20)11-7-16-4-5-17-11/h1-8H,(H,18,19,20).
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 36539472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).