2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol

C13H20N2OS2 — CID 122696460

IUPAC2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCC(C)Cc1nccs1.Cc1ncsc1CCO
InChIInChI=1S/C7H11NS.C6H9NOS/c1-6(2)5-7-8-3-4-9-7;1-5-6(2-3-8)9-4-7-5/h3-4,6H,5H2,1-2H3;4,8H,2-3H2,1H3
InChIKeyDEBKUASQXHNZEE-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.33
Rot. Bonds4

About 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol

2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 122696460) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID122696460
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCC(C)Cc1nccs1.Cc1ncsc1CCO
InChIInChI=1S/C7H11NS.C6H9NOS/c1-6(2)5-7-8-3-4-9-7;1-5-6(2-3-8)9-4-7-5/h3-4,6H,5H2,1-2H3;4,8H,2-3H2,1H3
InChIKeyDEBKUASQXHNZEE-UHFFFAOYSA-N
XLogP3.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 175030808
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 161084330
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 160669946
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
4-methyl-5-(7-methyl-3-methylideneoctyl)-1,3-thiazole
CID 155442020

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 122696460) is 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol is CC(C)Cc1nccs1.Cc1ncsc1CCO.
What is the InChIKey of 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is DEBKUASQXHNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.C6H9NOS/c1-6(2)5-7-8-3-4-9-7;1-5-6(2-3-8)9-4-7-5/h3-4,6H,5H2,1-2H3;4,8H,2-3H2,1H3.
What are the key properties of 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 284.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 122696460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).