N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide

C13H9ClN4OS2 — CID 8892333

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cn1
InChIInChI=1S/C13H9ClN4OS2/c1-7-4-16-8(5-15-7)12(19)18-13-17-9(6-20-13)10-2-3-11(14)21-10/h2-6H,1H3,(H,17,18,19)
InChIKeyLCHGZEHMPQJMCO-UHFFFAOYSA-N
MW336.83 g/mol
LogP3.88
Rot. Bonds3

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

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 8892333) has the molecular formula C13H9ClN4OS2 and a molecular weight of 336.83 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
PubChem CID8892333
Molecular FormulaC13H9ClN4OS2
Molecular Weight336.83 g/mol
Exact Mass335.99
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cn1
InChIInChI=1S/C13H9ClN4OS2/c1-7-4-16-8(5-15-7)12(19)18-13-17-9(6-20-13)10-2-3-11(14)21-10/h2-6H,1H3,(H,17,18,19)
InChIKeyLCHGZEHMPQJMCO-UHFFFAOYSA-N
XLogP3.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 17456352
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2574692
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-cyano-6-methylpyridine-2-carboxamide
CID 39090732
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47391969
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 24644942
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide (CID 8892333) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cn1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is LCHGZEHMPQJMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS2/c1-7-4-16-8(5-15-7)12(19)18-13-17-9(6-20-13)10-2-3-11(14)21-10/h2-6H,1H3,(H,17,18,19).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 336.83 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 8892333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).