2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid

C15H15N3O3S2 — CID 146145510

IUPAC2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid
SMILESCCN(Cc1nccn1C)C(=O)c1cc2cc(C(=O)O)sc2s1
InChIInChI=1S/C15H15N3O3S2/c1-3-18(8-12-16-4-5-17(12)2)13(19)10-6-9-7-11(14(20)21)23-15(9)22-10/h4-7H,3,8H2,1-2H3,(H,20,21)
InChIKeyIIGGPEVANRCUHL-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.06
Rot. Bonds5

About 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid

2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid (PubChem CID 146145510) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid
PubChem CID146145510
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid
SMILESCCN(Cc1nccn1C)C(=O)c1cc2cc(C(=O)O)sc2s1
InChIInChI=1S/C15H15N3O3S2/c1-3-18(8-12-16-4-5-17(12)2)13(19)10-6-9-7-11(14(20)21)23-15(9)22-10/h4-7H,3,8H2,1-2H3,(H,20,21)
InChIKeyIIGGPEVANRCUHL-UHFFFAOYSA-N
XLogP3.06
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid with MolForge

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Related Compounds

5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
5-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 166284932
6-(5-chloro-3-pyridinyl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]naphthalene-2-carboxamide
CID 175641447
6-(azepan-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 42596308
2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 42793534
4-ethyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63026381
4-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61063163
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63026382
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 56739353
1-ethyl-1-[(1-methylimidazol-2-yl)methyl]-3-(2-pyrrol-1-ylethyl)urea;formic acid
CID 154909219
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 77079286

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid?
The IUPAC name of 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid (CID 146145510) is 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid?
The canonical SMILES for 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid is CCN(Cc1nccn1C)C(=O)c1cc2cc(C(=O)O)sc2s1.
What is the InChIKey of 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid?
The InChIKey is IIGGPEVANRCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-3-18(8-12-16-4-5-17(12)2)13(19)10-6-9-7-11(14(20)21)23-15(9)22-10/h4-7H,3,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid?
2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid has a molecular weight of 349.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thieno[2,3-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 146145510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).