N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide

C13H15N3OS — CID 91628974

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1ccnc1C1CC1)c1ccsc1
InChIInChI=1S/C13H15N3OS/c17-13(11-3-8-18-9-11)15-5-7-16-6-4-14-12(16)10-1-2-10/h3-4,6,8-10H,1-2,5,7H2,(H,15,17)
InChIKeyZXIZQFOGTXUJIN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide (PubChem CID 91628974) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide
PubChem CID91628974
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1ccnc1C1CC1)c1ccsc1
InChIInChI=1S/C13H15N3OS/c17-13(11-3-8-18-9-11)15-5-7-16-6-4-14-12(16)10-1-2-10/h3-4,6,8-10H,1-2,5,7H2,(H,15,17)
InChIKeyZXIZQFOGTXUJIN-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide (CID 91628974) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide is O=C(NCCn1ccnc1C1CC1)c1ccsc1.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is ZXIZQFOGTXUJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(11-3-8-18-9-11)15-5-7-16-6-4-14-12(16)10-1-2-10/h3-4,6,8-10H,1-2,5,7H2,(H,15,17).
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 91628974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).