5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide

C12H12ClN3OS — CID 107257832

IUPAC5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cc(CNC(=O)c2cnc(Cl)cn2)sc1C
InChIInChI=1S/C12H12ClN3OS/c1-7-3-9(18-8(7)2)4-16-12(17)10-5-15-11(13)6-14-10/h3,5-6H,4H2,1-2H3,(H,16,17)
InChIKeyDXSJZJYWYXSDNP-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 107257832) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID107257832
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cc(CNC(=O)c2cnc(Cl)cn2)sc1C
InChIInChI=1S/C12H12ClN3OS/c1-7-3-9(18-8(7)2)4-16-12(17)10-5-15-11(13)6-14-10/h3,5-6H,4H2,1-2H3,(H,16,17)
InChIKeyDXSJZJYWYXSDNP-UHFFFAOYSA-N
XLogP2.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide
CID 107375938
2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114918600
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641591
5-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257898
5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 103803792
3,6-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 65243704
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 65241812
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 65244137
2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
CID 79348993
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide (CID 107257832) is 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide is Cc1cc(CNC(=O)c2cnc(Cl)cn2)sc1C.
What is the InChIKey of 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is DXSJZJYWYXSDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-3-9(18-8(7)2)4-16-12(17)10-5-15-11(13)6-14-10/h3,5-6H,4H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107257832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).