2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid

C8H9NO2S2 — CID 130686453

IUPAC2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(SC2CCC2)n1
InChIInChI=1S/C8H9NO2S2/c10-7(11)6-4-12-8(9-6)13-5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyNVXCSRJOFCDLQN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.49
Rot. Bonds3

About 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid

2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid (PubChem CID 130686453) has the molecular formula C8H9NO2S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid
PubChem CID130686453
Molecular FormulaC8H9NO2S2
Molecular Weight215.30 g/mol
Exact Mass215.01
IUPAC Name2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(SC2CCC2)n1
InChIInChI=1S/C8H9NO2S2/c10-7(11)6-4-12-8(9-6)13-5-2-1-3-5/h4-5H,1-3H2,(H,10,11)
InChIKeyNVXCSRJOFCDLQN-UHFFFAOYSA-N
XLogP2.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
2-(2-carboxyethylsulfanyl)-1,3-thiazole-4-carboxylic acid
CID 14415208
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 63100311
4-cyclohexylsulfanylpyridine-2-carboxylic acid
CID 60872683
6-cyclopentylsulfanyl-5-nitropyridine-2-carboxylic acid
CID 114404840
2-(thian-3-yl)-1,3-thiazole-4-carboxylic acid
CID 115037372
4-cyclohexylsulfanylthiophene-2-carboxylic acid
CID 79149674
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
2-(3-ethylcyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 65401658
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985
2-(cyclohexylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 90044718
2-(2-cyclohex-2-en-1-ylsulfanyl-1,3-thiazol-4-yl)acetic acid
CID 114619590

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid (CID 130686453) is 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(SC2CCC2)n1.
What is the InChIKey of 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is NVXCSRJOFCDLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S2/c10-7(11)6-4-12-8(9-6)13-5-2-1-3-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid?
2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 215.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylsulfanyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 130686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).