5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide

C12H14ClN3OS — CID 13371096

IUPAC5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide
SMILESCC(CCNC(=O)c1ccc(Cl)s1)n1ccnc1
InChIInChI=1S/C12H14ClN3OS/c1-9(16-7-6-14-8-16)4-5-15-12(17)10-2-3-11(13)18-10/h2-3,6-9H,4-5H2,1H3,(H,15,17)
InChIKeySNLDUIZZNSOKDG-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.98
Rot. Bonds5

About 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide

5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide (PubChem CID 13371096) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide
PubChem CID13371096
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide
SMILESCC(CCNC(=O)c1ccc(Cl)s1)n1ccnc1
InChIInChI=1S/C12H14ClN3OS/c1-9(16-7-6-14-8-16)4-5-15-12(17)10-2-3-11(13)18-10/h2-3,6-9H,4-5H2,1H3,(H,15,17)
InChIKeySNLDUIZZNSOKDG-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide (CID 13371096) is 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide is CC(CCNC(=O)c1ccc(Cl)s1)n1ccnc1.
What is the InChIKey of 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide?
The InChIKey is SNLDUIZZNSOKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-9(16-7-6-14-8-16)4-5-15-12(17)10-2-3-11(13)18-10/h2-3,6-9H,4-5H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide?
5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide has a molecular weight of 283.78 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-imidazol-1-ylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 13371096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).