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

C11H19NS — CID 58210409

IUPAC5-butyl-2-tert-butyl-1,3-thiazole
SMILESCCCCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C11H19NS/c1-5-6-7-9-8-12-10(13-9)11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyGTCZKKFNMZNCHI-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.78
Rot. Bonds3

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

5-butyl-2-tert-butyl-1,3-thiazole (PubChem CID 58210409) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 5-butyl-2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name5-butyl-2-tert-butyl-1,3-thiazole
PubChem CID58210409
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name5-butyl-2-tert-butyl-1,3-thiazole
SMILESCCCCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C11H19NS/c1-5-6-7-9-8-12-10(13-9)11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyGTCZKKFNMZNCHI-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-tert-butyl-1,3-thiazole?
The IUPAC name of 5-butyl-2-tert-butyl-1,3-thiazole (CID 58210409) is 5-butyl-2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 5-butyl-2-tert-butyl-1,3-thiazole?
The canonical SMILES for 5-butyl-2-tert-butyl-1,3-thiazole is CCCCc1cnc(C(C)(C)C)s1.
What is the InChIKey of 5-butyl-2-tert-butyl-1,3-thiazole?
The InChIKey is GTCZKKFNMZNCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-6-7-9-8-12-10(13-9)11(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 5-butyl-2-tert-butyl-1,3-thiazole?
5-butyl-2-tert-butyl-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 58210409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).