4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid

C5H4ClNO3S — CID 19786335

IUPAC4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid
SMILESCOc1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C5H4ClNO3S/c1-10-5-7-3(6)2(11-5)4(8)9/h1H3,(H,8,9)
InChIKeySTGBSHLQPPTGRU-UHFFFAOYSA-N
MW193.61 g/mol
LogP1.50
Rot. Bonds2

About 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid

4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid (PubChem CID 19786335) has the molecular formula C5H4ClNO3S and a molecular weight of 193.61 g/mol. Its IUPAC name is 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid
PubChem CID19786335
Molecular FormulaC5H4ClNO3S
Molecular Weight193.61 g/mol
Exact Mass192.96
IUPAC Name4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid
SMILESCOc1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C5H4ClNO3S/c1-10-5-7-3(6)2(11-5)4(8)9/h1H3,(H,8,9)
InChIKeySTGBSHLQPPTGRU-UHFFFAOYSA-N
XLogP1.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.61
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid (CID 19786335) is 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid is COc1nc(Cl)c(C(=O)O)s1.
What is the InChIKey of 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid?
The InChIKey is STGBSHLQPPTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO3S/c1-10-5-7-3(6)2(11-5)4(8)9/h1H3,(H,8,9).
What are the key properties of 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid?
4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid has a molecular weight of 193.61 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19786335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).