4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid

C8H4ClNO2S2 — CID 82130600

IUPAC4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1-c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNO2S2/c9-5-2-1-4(14-5)6-7(8(11)12)13-3-10-6/h1-3H,(H,11,12)
InChIKeyBSIPRBRPASZMAG-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.22
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid

4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82130600) has the molecular formula C8H4ClNO2S2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID82130600
Molecular FormulaC8H4ClNO2S2
Molecular Weight245.71 g/mol
Exact Mass244.94
IUPAC Name4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1-c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNO2S2/c9-5-2-1-4(14-5)6-7(8(11)12)13-3-10-6/h1-3H,(H,11,12)
InChIKeyBSIPRBRPASZMAG-UHFFFAOYSA-N
XLogP3.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid (CID 82130600) is 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1scnc1-c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BSIPRBRPASZMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2S2/c9-5-2-1-4(14-5)6-7(8(11)12)13-3-10-6/h1-3H,(H,11,12).
What are the key properties of 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid?
4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 245.71 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82130600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).