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

C13H8Cl2N4OS2 — CID 17456352

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cn1
InChIInChI=1S/C13H8Cl2N4OS2/c1-6-3-17-8(4-16-6)12(20)19-13-18-9(5-21-13)7-2-10(14)22-11(7)15/h2-5H,1H3,(H,18,19,20)
InChIKeyVZKGNTXBEWKZBM-UHFFFAOYSA-N
MW371.27 g/mol
LogP4.53
Rot. Bonds3

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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 17456352) has the molecular formula C13H8Cl2N4OS2 and a molecular weight of 371.27 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
PubChem CID17456352
Molecular FormulaC13H8Cl2N4OS2
Molecular Weight371.27 g/mol
Exact Mass369.95
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cn1
InChIInChI=1S/C13H8Cl2N4OS2/c1-6-3-17-8(4-16-6)12(20)19-13-18-9(5-21-13)7-2-10(14)22-11(7)15/h2-5H,1H3,(H,18,19,20)
InChIKeyVZKGNTXBEWKZBM-UHFFFAOYSA-N
XLogP4.53
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 8892333
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
CID 4145582
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylsulfanylpropanamide
CID 43077940
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 18282187
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
(2R)-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376198
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151831

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide (CID 17456352) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cn1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is VZKGNTXBEWKZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4OS2/c1-6-3-17-8(4-16-6)12(20)19-13-18-9(5-21-13)7-2-10(14)22-11(7)15/h2-5H,1H3,(H,18,19,20).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 371.27 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 17456352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).