4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid

C15H11FN2O3S2 — CID 162757153

IUPAC4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid
SMILESCc1nc(C)c(-c2csc(-c3ccc(C(=O)O)c(O)c3F)n2)s1
InChIInChI=1S/C15H11FN2O3S2/c1-6-13(23-7(2)17-6)10-5-22-14(18-10)8-3-4-9(15(20)21)12(19)11(8)16/h3-5,19H,1-2H3,(H,20,21)
InChIKeyRFJUSOHWVKIHNF-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.09
Rot. Bonds3

About 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid

4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid (PubChem CID 162757153) has the molecular formula C15H11FN2O3S2 and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid
PubChem CID162757153
Molecular FormulaC15H11FN2O3S2
Molecular Weight350.40 g/mol
Exact Mass350.02
IUPAC Name4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid
SMILESCc1nc(C)c(-c2csc(-c3ccc(C(=O)O)c(O)c3F)n2)s1
InChIInChI=1S/C15H11FN2O3S2/c1-6-13(23-7(2)17-6)10-5-22-14(18-10)8-3-4-9(15(20)21)12(19)11(8)16/h3-5,19H,1-2H3,(H,20,21)
InChIKeyRFJUSOHWVKIHNF-UHFFFAOYSA-N
XLogP4.09
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid (CID 162757153) is 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid is Cc1nc(C)c(-c2csc(-c3ccc(C(=O)O)c(O)c3F)n2)s1.
What is the InChIKey of 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid?
The InChIKey is RFJUSOHWVKIHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S2/c1-6-13(23-7(2)17-6)10-5-22-14(18-10)8-3-4-9(15(20)21)12(19)11(8)16/h3-5,19H,1-2H3,(H,20,21).
What are the key properties of 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid?
4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid has a molecular weight of 350.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 162757153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).