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

C8H8ClNO2S — CID 105471885

IUPAC2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Cl)nc1C1CCC1
InChIInChI=1S/C8H8ClNO2S/c9-8-10-5(4-2-1-3-4)6(13-8)7(11)12/h4H,1-3H2,(H,11,12)
InChIKeyHWZOJNQJAYLVBZ-UHFFFAOYSA-N
MW217.68 g/mol
LogP2.76
Rot. Bonds2

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

2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid (PubChem CID 105471885) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
PubChem CID105471885
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Cl)nc1C1CCC1
InChIInChI=1S/C8H8ClNO2S/c9-8-10-5(4-2-1-3-4)6(13-8)7(11)12/h4H,1-3H2,(H,11,12)
InChIKeyHWZOJNQJAYLVBZ-UHFFFAOYSA-N
XLogP2.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
2-[[bis(prop-2-enyl)amino]methyl]-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 82227497
4-cyclobutyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226657
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
4-cyclopropyl-2-(2,5-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114076223
4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid
CID 82226488
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360216
2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid (CID 105471885) is 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Cl)nc1C1CCC1.
What is the InChIKey of 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HWZOJNQJAYLVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-8-10-5(4-2-1-3-4)6(13-8)7(11)12/h4H,1-3H2,(H,11,12).
What are the key properties of 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid?
2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 217.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 105471885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).