2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide

C12H8N4OS2 — CID 100617019

IUPAC2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccsc1)c1csc(-c2cnccn2)n1
InChIInChI=1S/C12H8N4OS2/c17-11(15-8-1-4-18-6-8)10-7-19-12(16-10)9-5-13-2-3-14-9/h1-7H,(H,15,17)
InChIKeyBSEAVMKQWRKGSG-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.91
Rot. Bonds3

About 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide

2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 100617019) has the molecular formula C12H8N4OS2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID100617019
Molecular FormulaC12H8N4OS2
Molecular Weight288.36 g/mol
Exact Mass288.01
IUPAC Name2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccsc1)c1csc(-c2cnccn2)n1
InChIInChI=1S/C12H8N4OS2/c17-11(15-8-1-4-18-6-8)10-7-19-12(16-10)9-5-13-2-3-14-9/h1-7H,(H,15,17)
InChIKeyBSEAVMKQWRKGSG-UHFFFAOYSA-N
XLogP2.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 75466941
(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350659
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 97077939
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
3-amino-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070561
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111485207
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 100617019) is 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccsc1)c1csc(-c2cnccn2)n1.
What is the InChIKey of 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BSEAVMKQWRKGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS2/c17-11(15-8-1-4-18-6-8)10-7-19-12(16-10)9-5-13-2-3-14-9/h1-7H,(H,15,17).
What are the key properties of 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide?
2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 100617019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).