2-tert-butyl-4-propan-2-yl-1,3-thiazole

C10H17NS — CID 22975254

IUPAC2-tert-butyl-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(C(C)(C)C)n1
InChIInChI=1S/C10H17NS/c1-7(2)8-6-12-9(11-8)10(3,4)5/h6-7H,1-5H3
InChIKeyNDKWNMHNSDDBMV-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.56
Rot. Bonds1

About 2-tert-butyl-4-propan-2-yl-1,3-thiazole

2-tert-butyl-4-propan-2-yl-1,3-thiazole (PubChem CID 22975254) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-yl-1,3-thiazole
PubChem CID22975254
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-tert-butyl-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(C(C)(C)C)n1
InChIInChI=1S/C10H17NS/c1-7(2)8-6-12-9(11-8)10(3,4)5/h6-7H,1-5H3
InChIKeyNDKWNMHNSDDBMV-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-propan-2-yl-1,3-thiazole 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-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 61337262
2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 116865464
2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole
CID 66056335
2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116734587
N,3-dimethyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-2-amine
CID 61331351
1-methoxy-N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62536660
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 61335180
1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 84770829
N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62543626
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61333805
1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 84772376
1-cyclohexyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61330765

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-4-propan-2-yl-1,3-thiazole (CID 22975254) is 2-tert-butyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is NDKWNMHNSDDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)8-6-12-9(11-8)10(3,4)5/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-4-propan-2-yl-1,3-thiazole?
2-tert-butyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 22975254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).