2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

C15H10ClNO2S2 — CID 63355603

IUPAC2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H10ClNO2S2/c16-10-3-1-9(2-4-10)15-17-12(8-20-15)13-6-5-11(21-13)7-14(18)19/h1-6,8H,7H2,(H,18,19)
InChIKeyPFQWQWBKDZMUIP-UHFFFAOYSA-N
MW335.84 g/mol
LogP4.82
Rot. Bonds4

About 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid

2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (PubChem CID 63355603) has the molecular formula C15H10ClNO2S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
PubChem CID63355603
Molecular FormulaC15H10ClNO2S2
Molecular Weight335.84 g/mol
Exact Mass334.98
IUPAC Name2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H10ClNO2S2/c16-10-3-1-9(2-4-10)15-17-12(8-20-15)13-6-5-11(21-13)7-14(18)19/h1-6,8H,7H2,(H,18,19)
InChIKeyPFQWQWBKDZMUIP-UHFFFAOYSA-N
XLogP4.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid (CID 63355603) is 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)s1.
What is the InChIKey of 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
The InChIKey is PFQWQWBKDZMUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2S2/c16-10-3-1-9(2-4-10)15-17-12(8-20-15)13-6-5-11(21-13)7-14(18)19/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid?
2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid has a molecular weight of 335.84 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 63355603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).