5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide

C11H9ClN2OS — CID 2147584

IUPAC5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C11H9ClN2OS/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8/h2-6H,1H3,(H,13,14,15)
InChIKeyADWYBNRUODNYPW-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.36
Rot. Bonds2

About 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide

5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 2147584) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID2147584
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C11H9ClN2OS/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8/h2-6H,1H3,(H,13,14,15)
InChIKeyADWYBNRUODNYPW-UHFFFAOYSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 2147584) is 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1ccnc(NC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is ADWYBNRUODNYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-7-4-5-13-10(6-7)14-11(15)8-2-3-9(12)16-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide?
5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 2147584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).