4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide

C17H13N3OS2 — CID 3225162

IUPAC4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C17H13N3OS2/c21-16(19-17-18-7-9-23-17)14-10-15-13(6-8-22-15)20(14)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19,21)
InChIKeyAXNUMISAVFJRDM-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.46
Rot. Bonds4

About 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide

4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225162) has the molecular formula C17H13N3OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225162
Molecular FormulaC17H13N3OS2
Molecular Weight339.45 g/mol
Exact Mass339.05
IUPAC Name4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C17H13N3OS2/c21-16(19-17-18-7-9-23-17)14-10-15-13(6-8-22-15)20(14)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19,21)
InChIKeyAXNUMISAVFJRDM-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3860168
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
CID 155803468
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-benzyl-N-(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6491500

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3225162) is 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide is O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is AXNUMISAVFJRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS2/c21-16(19-17-18-7-9-23-17)14-10-15-13(6-8-22-15)20(14)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19,21).
What are the key properties of 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 339.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).