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

C7H13NS — CID 59747670

IUPAC3-tert-butyl-2H-1,3-thiazole
SMILESCC(C)(C)N1C=CSC1
InChIInChI=1S/C7H13NS/c1-7(2,3)8-4-5-9-6-8/h4-5H,6H2,1-3H3
InChIKeyQKFINQVRBNMTTB-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.26
Rot. Bonds

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

3-tert-butyl-2H-1,3-thiazole (PubChem CID 59747670) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-tert-butyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-tert-butyl-2H-1,3-thiazole
PubChem CID59747670
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-tert-butyl-2H-1,3-thiazole
SMILESCC(C)(C)N1C=CSC1
InChIInChI=1S/C7H13NS/c1-7(2,3)8-4-5-9-6-8/h4-5H,6H2,1-3H3
InChIKeyQKFINQVRBNMTTB-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2H-1,3-thiazole?
The IUPAC name of 3-tert-butyl-2H-1,3-thiazole (CID 59747670) is 3-tert-butyl-2H-1,3-thiazole.
What is the SMILES notation for 3-tert-butyl-2H-1,3-thiazole?
The canonical SMILES for 3-tert-butyl-2H-1,3-thiazole is CC(C)(C)N1C=CSC1.
What is the InChIKey of 3-tert-butyl-2H-1,3-thiazole?
The InChIKey is QKFINQVRBNMTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(2,3)8-4-5-9-6-8/h4-5H,6H2,1-3H3.
What are the key properties of 3-tert-butyl-2H-1,3-thiazole?
3-tert-butyl-2H-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2H-1,3-thiazole is sourced from PubChem (CID 59747670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).