3-tert-butyl-4,5-dichloro-1,2-thiazole

C7H9Cl2NS — CID 58721734

IUPAC3-tert-butyl-4,5-dichloro-1,2-thiazole
SMILESCC(C)(C)c1nsc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2NS/c1-7(2,3)5-4(8)6(9)11-10-5/h1-3H3
InChIKeyHWSNMIMKPQPLNB-UHFFFAOYSA-N
MW210.13 g/mol
LogP3.75
Rot. Bonds

About 3-tert-butyl-4,5-dichloro-1,2-thiazole

3-tert-butyl-4,5-dichloro-1,2-thiazole (PubChem CID 58721734) has the molecular formula C7H9Cl2NS and a molecular weight of 210.13 g/mol. Its IUPAC name is 3-tert-butyl-4,5-dichloro-1,2-thiazole.

Molecular Properties

Compound Name3-tert-butyl-4,5-dichloro-1,2-thiazole
PubChem CID58721734
Molecular FormulaC7H9Cl2NS
Molecular Weight210.13 g/mol
Exact Mass208.98
IUPAC Name3-tert-butyl-4,5-dichloro-1,2-thiazole
SMILESCC(C)(C)c1nsc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2NS/c1-7(2,3)5-4(8)6(9)11-10-5/h1-3H3
InChIKeyHWSNMIMKPQPLNB-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,5-dichloro-1,2-thiazole?
The IUPAC name of 3-tert-butyl-4,5-dichloro-1,2-thiazole (CID 58721734) is 3-tert-butyl-4,5-dichloro-1,2-thiazole.
What is the SMILES notation for 3-tert-butyl-4,5-dichloro-1,2-thiazole?
The canonical SMILES for 3-tert-butyl-4,5-dichloro-1,2-thiazole is CC(C)(C)c1nsc(Cl)c1Cl.
What is the InChIKey of 3-tert-butyl-4,5-dichloro-1,2-thiazole?
The InChIKey is HWSNMIMKPQPLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NS/c1-7(2,3)5-4(8)6(9)11-10-5/h1-3H3.
What are the key properties of 3-tert-butyl-4,5-dichloro-1,2-thiazole?
3-tert-butyl-4,5-dichloro-1,2-thiazole has a molecular weight of 210.13 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,5-dichloro-1,2-thiazole is sourced from PubChem (CID 58721734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).