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

C14H8F2N4OS — CID 2455255

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnccn1
InChIInChI=1S/C14H8F2N4OS/c15-9-2-1-8(5-10(9)16)12-7-22-14(19-12)20-13(21)11-6-17-3-4-18-11/h1-7H,(H,19,20,21)
InChIKeyCYLFKMPKRJEHEB-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.13
Rot. Bonds3

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 2455255) has the molecular formula C14H8F2N4OS and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID2455255
Molecular FormulaC14H8F2N4OS
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnccn1
InChIInChI=1S/C14H8F2N4OS/c15-9-2-1-8(5-10(9)16)12-7-22-14(19-12)20-13(21)11-6-17-3-4-18-11/h1-7H,(H,19,20,21)
InChIKeyCYLFKMPKRJEHEB-UHFFFAOYSA-N
XLogP3.13
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.13
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-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
(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
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-fluorophenyl)methanone
CID 54581340
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 2455255) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnccn1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is CYLFKMPKRJEHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4OS/c15-9-2-1-8(5-10(9)16)12-7-22-14(19-12)20-13(21)11-6-17-3-4-18-11/h1-7H,(H,19,20,21).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 2455255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).