N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide

C10H11N3O2S — CID 78962786

IUPACN-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C10H11N3O2S/c1-15-7-2-5-16-9(7)10(14)13-6-8-11-3-4-12-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyXDZDZHKTMPCUOO-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.41
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide (PubChem CID 78962786) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide
PubChem CID78962786
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C10H11N3O2S/c1-15-7-2-5-16-9(7)10(14)13-6-8-11-3-4-12-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyXDZDZHKTMPCUOO-UHFFFAOYSA-N
XLogP1.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide (CID 78962786) is N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is XDZDZHKTMPCUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-7-2-5-16-9(7)10(14)13-6-8-11-3-4-12-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 78962786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).