2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol

C12H19NOS — CID 83149735

IUPAC2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncsc1CCC(C)(CO)C1CC1
InChIInChI=1S/C12H19NOS/c1-9-11(15-8-13-9)5-6-12(2,7-14)10-3-4-10/h8,10,14H,3-7H2,1-2H3
InChIKeyILJMETMUMYPTGU-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.79
Rot. Bonds5

About 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol

2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (PubChem CID 83149735) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
PubChem CID83149735
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
SMILESCc1ncsc1CCC(C)(CO)C1CC1
InChIInChI=1S/C12H19NOS/c1-9-11(15-8-13-9)5-6-12(2,7-14)10-3-4-10/h8,10,14H,3-7H2,1-2H3
InChIKeyILJMETMUMYPTGU-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol 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-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 115655890
2-carbamoyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
CID 114899727
4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 175030808
tert-butyl (2R)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 80710247
2-ethyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butanenitrile
CID 65379325
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentan-1-ol
CID 79424345
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 160669946
1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79436563
2-ethyl-N,2-dimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62724465
2,2-dimethyl-6-(4-methyl-1,3-thiazol-5-yl)hexan-3-one
CID 79428990

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol (CID 83149735) is 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is Cc1ncsc1CCC(C)(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
The InChIKey is ILJMETMUMYPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-11(15-8-13-9)5-6-12(2,7-14)10-3-4-10/h8,10,14H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol?
2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 83149735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).