3-butyl-5-methyl-2H-1,3-thiazole

C8H15NS — CID 67403443

IUPAC3-butyl-5-methyl-2H-1,3-thiazole
SMILESCCCCN1C=C(C)SC1
InChIInChI=1S/C8H15NS/c1-3-4-5-9-6-8(2)10-7-9/h6H,3-5,7H2,1-2H3
InChIKeyHKPHGWICBHGYKS-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.65
Rot. Bonds3

About 3-butyl-5-methyl-2H-1,3-thiazole

3-butyl-5-methyl-2H-1,3-thiazole (PubChem CID 67403443) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-butyl-5-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-butyl-5-methyl-2H-1,3-thiazole
PubChem CID67403443
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-butyl-5-methyl-2H-1,3-thiazole
SMILESCCCCN1C=C(C)SC1
InChIInChI=1S/C8H15NS/c1-3-4-5-9-6-8(2)10-7-9/h6H,3-5,7H2,1-2H3
InChIKeyHKPHGWICBHGYKS-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methyl-2H-1,3-thiazole?
The IUPAC name of 3-butyl-5-methyl-2H-1,3-thiazole (CID 67403443) is 3-butyl-5-methyl-2H-1,3-thiazole.
What is the SMILES notation for 3-butyl-5-methyl-2H-1,3-thiazole?
The canonical SMILES for 3-butyl-5-methyl-2H-1,3-thiazole is CCCCN1C=C(C)SC1.
What is the InChIKey of 3-butyl-5-methyl-2H-1,3-thiazole?
The InChIKey is HKPHGWICBHGYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-4-5-9-6-8(2)10-7-9/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-butyl-5-methyl-2H-1,3-thiazole?
3-butyl-5-methyl-2H-1,3-thiazole has a molecular weight of 157.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methyl-2H-1,3-thiazole is sourced from PubChem (CID 67403443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).