3-tert-butyl-2-methylidene-1,3-thiazole

C8H13NS — CID 58336928

IUPAC3-tert-butyl-2-methylidene-1,3-thiazole
SMILESC=C1SC=CN1C(C)(C)C
InChIInChI=1S/C8H13NS/c1-7-9(5-6-10-7)8(2,3)4/h5-6H,1H2,2-4H3
InChIKeyDTLQXESJGCVMIK-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.78
Rot. Bonds

About 3-tert-butyl-2-methylidene-1,3-thiazole

3-tert-butyl-2-methylidene-1,3-thiazole (PubChem CID 58336928) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3-tert-butyl-2-methylidene-1,3-thiazole.

Molecular Properties

Compound Name3-tert-butyl-2-methylidene-1,3-thiazole
PubChem CID58336928
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3-tert-butyl-2-methylidene-1,3-thiazole
SMILESC=C1SC=CN1C(C)(C)C
InChIInChI=1S/C8H13NS/c1-7-9(5-6-10-7)8(2,3)4/h5-6H,1H2,2-4H3
InChIKeyDTLQXESJGCVMIK-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-2-methylidene-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 3-tert-butyl-2-methylidene-1,3-thiazole?
The IUPAC name of 3-tert-butyl-2-methylidene-1,3-thiazole (CID 58336928) is 3-tert-butyl-2-methylidene-1,3-thiazole.
What is the SMILES notation for 3-tert-butyl-2-methylidene-1,3-thiazole?
The canonical SMILES for 3-tert-butyl-2-methylidene-1,3-thiazole is C=C1SC=CN1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methylidene-1,3-thiazole?
The InChIKey is DTLQXESJGCVMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7-9(5-6-10-7)8(2,3)4/h5-6H,1H2,2-4H3.
What are the key properties of 3-tert-butyl-2-methylidene-1,3-thiazole?
3-tert-butyl-2-methylidene-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methylidene-1,3-thiazole is sourced from PubChem (CID 58336928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).