1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol

C14H25NOS — CID 115401016

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)c1csc(CC(C)(O)C(C)(C)C)n1
InChIInChI=1S/C14H25NOS/c1-12(2,3)10-9-17-11(15-10)8-14(7,16)13(4,5)6/h9,16H,8H2,1-7H3
InChIKeyCLAVMHFWXYPRGT-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.78
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol

1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol (PubChem CID 115401016) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol
PubChem CID115401016
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol
SMILESCC(C)(C)c1csc(CC(C)(O)C(C)(C)C)n1
InChIInChI=1S/C14H25NOS/c1-12(2,3)10-9-17-11(15-10)8-14(7,16)13(4,5)6/h9,16H,8H2,1-7H3
InChIKeyCLAVMHFWXYPRGT-UHFFFAOYSA-N
XLogP3.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-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-(4-bromophenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
CID 79819846
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 79817647
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine
CID 79820171
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol
CID 115927169
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine
CID 79820562
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
N-tert-butyl-2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 83151543
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol
CID 83130372
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol
CID 79817823

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol (CID 115401016) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol is CC(C)(C)c1csc(CC(C)(O)C(C)(C)C)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol?
The InChIKey is CLAVMHFWXYPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-12(2,3)10-9-17-11(15-10)8-14(7,16)13(4,5)6/h9,16H,8H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol?
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol has a molecular weight of 255.43 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 115401016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).