7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid

C16H9FN4O4S — CID 150602219

IUPAC7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid
SMILESCc1noc(-c2csc(C(=O)c3cn(C(=O)O)c4c(F)cccc34)n2)n1
InChIInChI=1S/C16H9FN4O4S/c1-7-18-14(25-20-7)11-6-26-15(19-11)13(22)9-5-21(16(23)24)12-8(9)3-2-4-10(12)17/h2-6H,1H3,(H,23,24)
InChIKeyISCPNHSKCBZLTI-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.35
Rot. Bonds3

About 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid

7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid (PubChem CID 150602219) has the molecular formula C16H9FN4O4S and a molecular weight of 372.34 g/mol. Its IUPAC name is 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid
PubChem CID150602219
Molecular FormulaC16H9FN4O4S
Molecular Weight372.34 g/mol
Exact Mass372.03
IUPAC Name7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid
SMILESCc1noc(-c2csc(C(=O)c3cn(C(=O)O)c4c(F)cccc34)n2)n1
InChIInChI=1S/C16H9FN4O4S/c1-7-18-14(25-20-7)11-6-26-15(19-11)13(22)9-5-21(16(23)24)12-8(9)3-2-4-10(12)17/h2-6H,1H3,(H,23,24)
InChIKeyISCPNHSKCBZLTI-UHFFFAOYSA-N
XLogP3.35
TPSA111.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid?
The IUPAC name of 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid (CID 150602219) is 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid?
The canonical SMILES for 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid is Cc1noc(-c2csc(C(=O)c3cn(C(=O)O)c4c(F)cccc34)n2)n1.
What is the InChIKey of 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid?
The InChIKey is ISCPNHSKCBZLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O4S/c1-7-18-14(25-20-7)11-6-26-15(19-11)13(22)9-5-21(16(23)24)12-8(9)3-2-4-10(12)17/h2-6H,1H3,(H,23,24).
What are the key properties of 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid?
7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid has a molecular weight of 372.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid is sourced from PubChem (CID 150602219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).