5-chloro-4-methylthiophene-3-carboxamide

C6H6ClNOS — CID 18938080

IUPAC5-chloro-4-methylthiophene-3-carboxamide
SMILESCc1c(C(N)=O)csc1Cl
InChIInChI=1S/C6H6ClNOS/c1-3-4(6(8)9)2-10-5(3)7/h2H,1H3,(H2,8,9)
InChIKeyWNPXZXNMZQIDJF-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.81
Rot. Bonds1

About 5-chloro-4-methylthiophene-3-carboxamide

5-chloro-4-methylthiophene-3-carboxamide (PubChem CID 18938080) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 5-chloro-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4-methylthiophene-3-carboxamide
PubChem CID18938080
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name5-chloro-4-methylthiophene-3-carboxamide
SMILESCc1c(C(N)=O)csc1Cl
InChIInChI=1S/C6H6ClNOS/c1-3-4(6(8)9)2-10-5(3)7/h2H,1H3,(H2,8,9)
InChIKeyWNPXZXNMZQIDJF-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-chloro-4-methylthiophene-3-carboxamide (CID 18938080) is 5-chloro-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-chloro-4-methylthiophene-3-carboxamide is Cc1c(C(N)=O)csc1Cl.
What is the InChIKey of 5-chloro-4-methylthiophene-3-carboxamide?
The InChIKey is WNPXZXNMZQIDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c1-3-4(6(8)9)2-10-5(3)7/h2H,1H3,(H2,8,9).
What are the key properties of 5-chloro-4-methylthiophene-3-carboxamide?
5-chloro-4-methylthiophene-3-carboxamide has a molecular weight of 175.64 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 18938080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).