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

C17H12FN3OS2 — CID 644553

IUPAC4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS2/c18-12-3-1-11(2-4-12)10-21-13-5-7-23-15(13)9-14(21)16(22)20-17-19-6-8-24-17/h1-9H,10H2,(H,19,20,22)
InChIKeyMHFZZDTXJQARDK-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.60
Rot. Bonds4

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

4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 644553) has the molecular formula C17H12FN3OS2 and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID644553
Molecular FormulaC17H12FN3OS2
Molecular Weight357.44 g/mol
Exact Mass357.04
IUPAC Name4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS2/c18-12-3-1-11(2-4-12)10-21-13-5-7-23-15(13)9-14(21)16(22)20-17-19-6-8-24-17/h1-9H,10H2,(H,19,20,22)
InChIKeyMHFZZDTXJQARDK-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide (CID 644553) is 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide is O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MHFZZDTXJQARDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS2/c18-12-3-1-11(2-4-12)10-21-13-5-7-23-15(13)9-14(21)16(22)20-17-19-6-8-24-17/h1-9H,10H2,(H,19,20,22).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 644553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).