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

C16H14N4OS — CID 2106098

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3cnccn3)n2)c1
InChIInChI=1S/C16H14N4OS/c1-10-3-4-11(2)12(7-10)14-9-22-16(19-14)20-15(21)13-8-17-5-6-18-13/h3-9H,1-2H3,(H,19,20,21)
InChIKeyXLAHYWFATYBEAX-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.47
Rot. Bonds3

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

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 2106098) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID2106098
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3cnccn3)n2)c1
InChIInChI=1S/C16H14N4OS/c1-10-3-4-11(2)12(7-10)14-9-22-16(19-14)20-15(21)13-8-17-5-6-18-13/h3-9H,1-2H3,(H,19,20,21)
InChIKeyXLAHYWFATYBEAX-UHFFFAOYSA-N
XLogP3.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
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-(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
4-Thiazolecarboxamide, N-[5-[[[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]amino]thioxomethyl]amino]-2-pyridinyl]-
CID 3010086
2-methyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 4123718
N-[4-(2,4,6-Trimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide
CID 4812517
4-methyl-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5002053
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 2106098) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is Cc1ccc(C)c(-c2csc(NC(=O)c3cnccn3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is XLAHYWFATYBEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-3-4-11(2)12(7-10)14-9-22-16(19-14)20-15(21)13-8-17-5-6-18-13/h3-9H,1-2H3,(H,19,20,21).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 2106098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).