5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

C15H10ClNO3S — CID 106817927

IUPAC5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)cc1Cl
InChIInChI=1S/C15H10ClNO3S/c1-8-2-3-9(4-11(8)16)14-17-12(7-21-14)13-5-10(6-20-13)15(18)19/h2-7H,1H3,(H,18,19)
InChIKeyVTEPYXRPKJTNEQ-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.73
Rot. Bonds3

About 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 106817927) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID106817927
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)cc1Cl
InChIInChI=1S/C15H10ClNO3S/c1-8-2-3-9(4-11(8)16)14-17-12(7-21-14)13-5-10(6-20-13)15(18)19/h2-7H,1H3,(H,18,19)
InChIKeyVTEPYXRPKJTNEQ-UHFFFAOYSA-N
XLogP4.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356063
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 106817928
5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355591
5-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63355680
5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356026
5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103083503
5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 103442924
5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
CID 63355636
5-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 107931341
5-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 66161251
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 106817927) is 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is Cc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)cc1Cl.
What is the InChIKey of 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is VTEPYXRPKJTNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c1-8-2-3-9(4-11(8)16)14-17-12(7-21-14)13-5-10(6-20-13)15(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 319.77 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 106817927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).