N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide

C10H11N3O2S — CID 110245789

IUPACN-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide
SMILESCOc1ccc(C(=O)NCc2ncc[nH]2)s1
InChIInChI=1S/C10H11N3O2S/c1-15-9-3-2-7(16-9)10(14)13-6-8-11-4-5-12-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyJVWMGILEQQHURD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.41
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide (PubChem CID 110245789) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide
PubChem CID110245789
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide
SMILESCOc1ccc(C(=O)NCc2ncc[nH]2)s1
InChIInChI=1S/C10H11N3O2S/c1-15-9-3-2-7(16-9)10(14)13-6-8-11-4-5-12-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyJVWMGILEQQHURD-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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Related Compounds

5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide
CID 79965240
N-(1H-imidazol-2-ylmethyl)-3-methoxypyridine-4-carboxamide
CID 105063994
(E)-3-[5-(1H-imidazol-2-ylmethylcarbamoyl)-3-methylthiophen-2-yl]prop-2-enoic acid
CID 79997622
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
CID 75520735
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
CID 75389671
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide
CID 64518946
4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 82832444
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide (CID 110245789) is N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide is COc1ccc(C(=O)NCc2ncc[nH]2)s1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide?
The InChIKey is JVWMGILEQQHURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-9-3-2-7(16-9)10(14)13-6-8-11-4-5-12-8/h2-5H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-5-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)-5-methoxythiophene-2-carboxamide is sourced from PubChem (CID 110245789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).