1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide

C19H14FN3OS — CID 11002636

IUPAC1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C19H14FN3OS/c20-14-5-3-4-13(10-14)11-23-12-16(15-6-1-2-7-17(15)23)18(24)22-19-21-8-9-25-19/h1-10,12H,11H2,(H,21,22,24)
InChIKeyFGJUKDFZRGEQMZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.54
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide (PubChem CID 11002636) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide
PubChem CID11002636
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESO=C(Nc1nccs1)c1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C19H14FN3OS/c20-14-5-3-4-13(10-14)11-23-12-16(15-6-1-2-7-17(15)23)18(24)22-19-21-8-9-25-19/h1-10,12H,11H2,(H,21,22,24)
InChIKeyFGJUKDFZRGEQMZ-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide (CID 11002636) is 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide is O=C(Nc1nccs1)c1cn(Cc2cccc(F)c2)c2ccccc12.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The InChIKey is FGJUKDFZRGEQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c20-14-5-3-4-13(10-14)11-23-12-16(15-6-1-2-7-17(15)23)18(24)22-19-21-8-9-25-19/h1-10,12H,11H2,(H,21,22,24).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)indole-3-carboxamide is sourced from PubChem (CID 11002636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).