2-butyl-1,1-dimethyl-1,3-thiazole

C9H17NS — CID 130224807

IUPAC2-butyl-1,1-dimethyl-1,3-thiazole
SMILESCCCCC1=NC=CS1(C)C
InChIInChI=1S/C9H17NS/c1-4-5-6-9-10-7-8-11(9,2)3/h7-8H,4-6H2,1-3H3
InChIKeyPIMDOEJDTOESPP-UHFFFAOYSA-N
MW171.31 g/mol
LogP3.12
Rot. Bonds3

About 2-butyl-1,1-dimethyl-1,3-thiazole

2-butyl-1,1-dimethyl-1,3-thiazole (PubChem CID 130224807) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-butyl-1,1-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-butyl-1,1-dimethyl-1,3-thiazole
PubChem CID130224807
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-butyl-1,1-dimethyl-1,3-thiazole
SMILESCCCCC1=NC=CS1(C)C
InChIInChI=1S/C9H17NS/c1-4-5-6-9-10-7-8-11(9,2)3/h7-8H,4-6H2,1-3H3
InChIKeyPIMDOEJDTOESPP-UHFFFAOYSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,1-dimethyl-1,3-thiazole?
The IUPAC name of 2-butyl-1,1-dimethyl-1,3-thiazole (CID 130224807) is 2-butyl-1,1-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-butyl-1,1-dimethyl-1,3-thiazole?
The canonical SMILES for 2-butyl-1,1-dimethyl-1,3-thiazole is CCCCC1=NC=CS1(C)C.
What is the InChIKey of 2-butyl-1,1-dimethyl-1,3-thiazole?
The InChIKey is PIMDOEJDTOESPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-4-5-6-9-10-7-8-11(9,2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-butyl-1,1-dimethyl-1,3-thiazole?
2-butyl-1,1-dimethyl-1,3-thiazole has a molecular weight of 171.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,1-dimethyl-1,3-thiazole is sourced from PubChem (CID 130224807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).