5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide

C11H10ClN3OS — CID 103803792

IUPAC5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H10ClN3OS/c1-7-2-3-17-9(7)5-15-11(16)8-4-14-10(12)6-13-8/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyVRZKFFTUIPTOSO-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.43
Rot. Bonds3

About 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide

5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 103803792) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID103803792
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H10ClN3OS/c1-7-2-3-17-9(7)5-15-11(16)8-4-14-10(12)6-13-8/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyVRZKFFTUIPTOSO-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78989446
5-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257898
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 107257832
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 78918299
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78990763
N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 32958855
4-[(3-methylthiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 112700639
5-chloro-N-[(1-methylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 107257953
5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide (CID 103803792) is 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide is Cc1ccsc1CNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is VRZKFFTUIPTOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7-2-3-17-9(7)5-15-11(16)8-4-14-10(12)6-13-8/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide?
5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methylthiophen-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103803792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).