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

C17H12FN3O2S — CID 45491439

IUPAC4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc2occc2n1Cc1ccccc1F
InChIInChI=1S/C17H12FN3O2S/c18-12-4-2-1-3-11(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)
InChIKeyDSCVXJMTMYNKTC-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.13
Rot. Bonds4

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

4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 45491439) has the molecular formula C17H12FN3O2S and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID45491439
Molecular FormulaC17H12FN3O2S
Molecular Weight341.37 g/mol
Exact Mass341.06
IUPAC Name4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc2occc2n1Cc1ccccc1F
InChIInChI=1S/C17H12FN3O2S/c18-12-4-2-1-3-11(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)
InChIKeyDSCVXJMTMYNKTC-UHFFFAOYSA-N
XLogP4.13
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-fluorophenyl)methyl]-N-pyridin-3-ylfuro[3,2-b]pyrrole-5-carboxamide
CID 45495719
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308
methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
methyl (2S)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718453
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
4-[(2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038876
1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
CID 47335050
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
4-[(2-fluorophenyl)methyl]-2-methyl-N-(pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791219
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide (CID 45491439) is 4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide is O=C(Nc1nccs1)c1cc2occc2n1Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DSCVXJMTMYNKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2S/c18-12-4-2-1-3-11(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-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 45491439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).