5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide

C10H10ClN3OS — CID 47143117

IUPAC5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3OS/c11-9-2-1-8(16-9)10(15)13-4-6-14-5-3-12-7-14/h1-3,5,7H,4,6H2,(H,13,15)
InChIKeyNQJGCQVXVCKFIK-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.03
Rot. Bonds4

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

5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide (PubChem CID 47143117) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
PubChem CID47143117
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3OS/c11-9-2-1-8(16-9)10(15)13-4-6-14-5-3-12-7-14/h1-3,5,7H,4,6H2,(H,13,15)
InChIKeyNQJGCQVXVCKFIK-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 47019718
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5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide
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5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
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N-(2-imidazol-1-ylethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617458
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide (CID 47143117) is 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide is O=C(NCCn1ccnc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is NQJGCQVXVCKFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-9-2-1-8(16-9)10(15)13-4-6-14-5-3-12-7-14/h1-3,5,7H,4,6H2,(H,13,15).
What are the key properties of 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide?
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 255.73 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 47143117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).