N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C20H16FN3OS — CID 118335337

IUPACN-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C20H16FN3OS/c1-13-19(26-12-22-13)20(25)23-17-11-24(18-5-3-2-4-16(17)18)10-14-6-8-15(21)9-7-14/h2-9,11-12H,10H2,1H3,(H,23,25)
InChIKeyVICARAOWISKTGG-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.85
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118335337) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID118335337
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C20H16FN3OS/c1-13-19(26-12-22-13)20(25)23-17-11-24(18-5-3-2-4-16(17)18)10-14-6-8-15(21)9-7-14/h2-9,11-12H,10H2,1H3,(H,23,25)
InChIKeyVICARAOWISKTGG-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 118335337) is N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VICARAOWISKTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-13-19(26-12-22-13)20(25)23-17-11-24(18-5-3-2-4-16(17)18)10-14-6-8-15(21)9-7-14/h2-9,11-12H,10H2,1H3,(H,23,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118335337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).