2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid

C14H15NO2S2 — CID 106847725

IUPAC2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(SC)cc2)sc1C(=O)O
InChIInChI=1S/C14H15NO2S2/c1-3-4-11-12(14(16)17)19-13(15-11)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyYJRCCSCTLUVIBI-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.18
Rot. Bonds5

About 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid

2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 106847725) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID106847725
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccc(SC)cc2)sc1C(=O)O
InChIInChI=1S/C14H15NO2S2/c1-3-4-11-12(14(16)17)19-13(15-11)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyYJRCCSCTLUVIBI-UHFFFAOYSA-N
XLogP4.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106817947
2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359674
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359583
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-(3-bromo-4-fluorophenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 113459194
2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114556534
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114556533
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519
ethyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 107376184

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 106847725) is 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2ccc(SC)cc2)sc1C(=O)O.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YJRCCSCTLUVIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-3-4-11-12(14(16)17)19-13(15-11)9-5-7-10(18-2)8-6-9/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106847725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).