N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C13H15N3OS — CID 63939663

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C13H15N3OS/c1-16(8-12-14-5-6-15-12)13(17)11-7-9-3-2-4-10(9)18-11/h5-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyYDZREBHCYLWSNP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.23
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 63939663) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID63939663
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C13H15N3OS/c1-16(8-12-14-5-6-15-12)13(17)11-7-9-3-2-4-10(9)18-11/h5-7H,2-4,8H2,1H3,(H,14,15)
InChIKeyYDZREBHCYLWSNP-UHFFFAOYSA-N
XLogP2.23
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112792541
5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 63939467
ethyl 2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(methyl)amino]acetate
CID 55003287
N-(furan-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51072844
2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802824
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
N-methyl-N-(2-piperazin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63265752
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
3-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63931220
N-[(2-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 112790260
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
5-(4-hydroxybut-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79978410

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 63939663) is N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is YDZREBHCYLWSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-16(8-12-14-5-6-15-12)13(17)11-7-9-3-2-4-10(9)18-11/h5-7H,2-4,8H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 63939663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).