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

C17H13FN4O2S — CID 45492531

IUPAC4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1nnc(NC(=O)c2cc3occc3n2Cc2ccccc2F)s1
InChIInChI=1S/C17H13FN4O2S/c1-10-20-21-17(25-10)19-16(23)14-8-15-13(6-7-24-15)22(14)9-11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H,19,21,23)
InChIKeyKKRMUFKBDHSWNT-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.83
Rot. Bonds4

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

4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 45492531) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID45492531
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC Name4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1nnc(NC(=O)c2cc3occc3n2Cc2ccccc2F)s1
InChIInChI=1S/C17H13FN4O2S/c1-10-20-21-17(25-10)19-16(23)14-8-15-13(6-7-24-15)22(14)9-11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H,19,21,23)
InChIKeyKKRMUFKBDHSWNT-UHFFFAOYSA-N
XLogP3.83
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide (CID 45492531) is 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide is Cc1nnc(NC(=O)c2cc3occc3n2Cc2ccccc2F)s1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KKRMUFKBDHSWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c1-10-20-21-17(25-10)19-16(23)14-8-15-13(6-7-24-15)22(14)9-11-4-2-3-5-12(11)18/h2-8H,9H2,1H3,(H,19,21,23).
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 45492531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).