N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C15H11FN4OS — CID 1244124

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1sc(NC(=O)c2cnccn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H11FN4OS/c1-9-13(10-2-4-11(16)5-3-10)19-15(22-9)20-14(21)12-8-17-6-7-18-12/h2-8H,1H3,(H,19,20,21)
InChIKeyYMSBZPXFYIIINY-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.30
Rot. Bonds3

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 1244124) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID1244124
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1sc(NC(=O)c2cnccn2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H11FN4OS/c1-9-13(10-2-4-11(16)5-3-10)19-15(22-9)20-14(21)12-8-17-6-7-18-12/h2-8H,1H3,(H,19,20,21)
InChIKeyYMSBZPXFYIIINY-UHFFFAOYSA-N
XLogP3.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 1244124) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide is Cc1sc(NC(=O)c2cnccn2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is YMSBZPXFYIIINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c1-9-13(10-2-4-11(16)5-3-10)19-15(22-9)20-14(21)12-8-17-6-7-18-12/h2-8H,1H3,(H,19,20,21).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 1244124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).