4-tert-butyl-2,3-dihydro-1,3-thiazole

C7H13NS — CID 69496239

IUPAC4-tert-butyl-2,3-dihydro-1,3-thiazole
SMILESCC(C)(C)C1=CSCN1
InChIInChI=1S/C7H13NS/c1-7(2,3)6-4-9-5-8-6/h4,8H,5H2,1-3H3
InChIKeyNHVYMMYVGSZIRO-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.17
Rot. Bonds

About 4-tert-butyl-2,3-dihydro-1,3-thiazole

4-tert-butyl-2,3-dihydro-1,3-thiazole (PubChem CID 69496239) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2,3-dihydro-1,3-thiazole
PubChem CID69496239
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name4-tert-butyl-2,3-dihydro-1,3-thiazole
SMILESCC(C)(C)C1=CSCN1
InChIInChI=1S/C7H13NS/c1-7(2,3)6-4-9-5-8-6/h4,8H,5H2,1-3H3
InChIKeyNHVYMMYVGSZIRO-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2,3-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2,3-dihydro-1,3-thiazole (CID 69496239) is 4-tert-butyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2,3-dihydro-1,3-thiazole is CC(C)(C)C1=CSCN1.
What is the InChIKey of 4-tert-butyl-2,3-dihydro-1,3-thiazole?
The InChIKey is NHVYMMYVGSZIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(2,3)6-4-9-5-8-6/h4,8H,5H2,1-3H3.
What are the key properties of 4-tert-butyl-2,3-dihydro-1,3-thiazole?
4-tert-butyl-2,3-dihydro-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 69496239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).