N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide

C11H13N3O2S — CID 78954717

IUPACN-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H13N3O2S/c1-14(7-9-12-4-5-13-9)11(15)10-8(16-2)3-6-17-10/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyQELMTDHVJXMVCQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.75
Rot. Bonds4

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

N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 78954717) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
PubChem CID78954717
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H13N3O2S/c1-14(7-9-12-4-5-13-9)11(15)10-8(16-2)3-6-17-10/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyQELMTDHVJXMVCQ-UHFFFAOYSA-N
XLogP1.75
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63931220
N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 63929739
N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 63930568
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methyl-4-nitrobenzamide
CID 115621030
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
CID 63939460
N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945937
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945902
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 126434509

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide (CID 78954717) is N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide is COc1ccsc1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is QELMTDHVJXMVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-14(7-9-12-4-5-13-9)11(15)10-8(16-2)3-6-17-10/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 78954717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).