4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol

C14H17NO3S — CID 175030808

IUPAC4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ccc(C(=O)O)cc1.Cc1ncsc1CCO
InChIInChI=1S/C8H8O2.C6H9NOS/c1-6-2-4-7(5-3-6)8(9)10;1-5-6(2-3-8)9-4-7-5/h2-5H,1H3,(H,9,10);4,8H,2-3H2,1H3
InChIKeyLFCFMCOEURPHKO-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.68
Rot. Bonds3

About 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol

4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 175030808) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID175030808
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ccc(C(=O)O)cc1.Cc1ncsc1CCO
InChIInChI=1S/C8H8O2.C6H9NOS/c1-6-2-4-7(5-3-6)8(9)10;1-5-6(2-3-8)9-4-7-5/h2-5H,1H3,(H,9,10);4,8H,2-3H2,1H3
InChIKeyLFCFMCOEURPHKO-UHFFFAOYSA-N
XLogP2.68
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]pyridine-3-carboxylic acid
CID 55035291
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 160669946
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-carboxylic acid
CID 62071343
1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 161084330
4-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoic acid
CID 55035243
2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 114899727
CID 158355468
CID 158355468
alumane;4-methylbenzoic acid
CID 173230362
indigane;4-methylbenzoic acid
CID 173230327
sodium 4-methylbenzoic acid
CID 164511663
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 66025958
4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 60831265

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 175030808) is 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol is Cc1ccc(C(=O)O)cc1.Cc1ncsc1CCO.
What is the InChIKey of 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is LFCFMCOEURPHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H9NOS/c1-6-2-4-7(5-3-6)8(9)10;1-5-6(2-3-8)9-4-7-5/h2-5H,1H3,(H,9,10);4,8H,2-3H2,1H3.
What are the key properties of 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 279.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 175030808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).