2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide

C16H18N4OS — CID 53200472

IUPAC2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide
SMILESCCNC(=O)c1cc2nc(N(C)C)n(-c3ccccc3)c2s1
InChIInChI=1S/C16H18N4OS/c1-4-17-14(21)13-10-12-15(22-13)20(16(18-12)19(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,17,21)
InChIKeyLEKVWUSPDFCMDB-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.90
Rot. Bonds4

About 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide

2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide (PubChem CID 53200472) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide
PubChem CID53200472
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide
SMILESCCNC(=O)c1cc2nc(N(C)C)n(-c3ccccc3)c2s1
InChIInChI=1S/C16H18N4OS/c1-4-17-14(21)13-10-12-15(22-13)20(16(18-12)19(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,17,21)
InChIKeyLEKVWUSPDFCMDB-UHFFFAOYSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide (CID 53200472) is 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide is CCNC(=O)c1cc2nc(N(C)C)n(-c3ccccc3)c2s1.
What is the InChIKey of 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is LEKVWUSPDFCMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-4-17-14(21)13-10-12-15(22-13)20(16(18-12)19(2)3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,17,21).
What are the key properties of 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide?
2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-ethyl-3-phenylthieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 53200472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).