4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride

C8H10ClNO2S — CID 67780509

IUPAC4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nc(C2CC2)c(C(=O)O)s1.Cl
InChIInChI=1S/C8H9NO2S.ClH/c1-4-9-6(5-2-3-5)7(12-4)8(10)11;/h5H,2-3H2,1H3,(H,10,11);1H
InChIKeyOPYWOPXWEVXZDH-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.45
Rot. Bonds2

About 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride

4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride (PubChem CID 67780509) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
PubChem CID67780509
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
SMILESCc1nc(C2CC2)c(C(=O)O)s1.Cl
InChIInChI=1S/C8H9NO2S.ClH/c1-4-9-6(5-2-3-5)7(12-4)8(10)11;/h5H,2-3H2,1H3,(H,10,11);1H
InChIKeyOPYWOPXWEVXZDH-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride (CID 67780509) is 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride is Cc1nc(C2CC2)c(C(=O)O)s1.Cl.
What is the InChIKey of 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
The InChIKey is OPYWOPXWEVXZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S.ClH/c1-4-9-6(5-2-3-5)7(12-4)8(10)11;/h5H,2-3H2,1H3,(H,10,11);1H.
What are the key properties of 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride?
4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 67780509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).