N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide

C18H16FN5O2S — CID 169238263

IUPACN-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide
SMILESCc1cccc2c1cc(-c1noc(CNC(=O)c3nccs3)n1)n2CCF
InChIInChI=1S/C18H16FN5O2S/c1-11-3-2-4-13-12(11)9-14(24(13)7-5-19)16-22-15(26-23-16)10-21-17(25)18-20-6-8-27-18/h2-4,6,8-9H,5,7,10H2,1H3,(H,21,25)
InChIKeyISCCGYJWLQKSAG-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.36
Rot. Bonds6

About N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide

N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide (PubChem CID 169238263) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide
PubChem CID169238263
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC NameN-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide
SMILESCc1cccc2c1cc(-c1noc(CNC(=O)c3nccs3)n1)n2CCF
InChIInChI=1S/C18H16FN5O2S/c1-11-3-2-4-13-12(11)9-14(24(13)7-5-19)16-22-15(26-23-16)10-21-17(25)18-20-6-8-27-18/h2-4,6,8-9H,5,7,10H2,1H3,(H,21,25)
InChIKeyISCCGYJWLQKSAG-UHFFFAOYSA-N
XLogP3.36
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide (CID 169238263) is N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide is Cc1cccc2c1cc(-c1noc(CNC(=O)c3nccs3)n1)n2CCF.
What is the InChIKey of N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ISCCGYJWLQKSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-11-3-2-4-13-12(11)9-14(24(13)7-5-19)16-22-15(26-23-16)10-21-17(25)18-20-6-8-27-18/h2-4,6,8-9H,5,7,10H2,1H3,(H,21,25).
What are the key properties of N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide?
N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(2-fluoroethyl)-4-methylindol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169238263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).