3-butyl-4-methyl-2H-1,3-thiazole

C8H15NS — CID 91246770

IUPAC3-butyl-4-methyl-2H-1,3-thiazole
SMILESCCCCN1CSC=C1C
InChIInChI=1S/C8H15NS/c1-3-4-5-9-7-10-6-8(9)2/h6H,3-5,7H2,1-2H3
InChIKeyOPLLIIZQWZYFFX-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.65
Rot. Bonds3

About 3-butyl-4-methyl-2H-1,3-thiazole

3-butyl-4-methyl-2H-1,3-thiazole (PubChem CID 91246770) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-butyl-4-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-butyl-4-methyl-2H-1,3-thiazole
PubChem CID91246770
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-butyl-4-methyl-2H-1,3-thiazole
SMILESCCCCN1CSC=C1C
InChIInChI=1S/C8H15NS/c1-3-4-5-9-7-10-6-8(9)2/h6H,3-5,7H2,1-2H3
InChIKeyOPLLIIZQWZYFFX-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-4-methyl-2H-1,3-thiazole?
The IUPAC name of 3-butyl-4-methyl-2H-1,3-thiazole (CID 91246770) is 3-butyl-4-methyl-2H-1,3-thiazole.
What is the SMILES notation for 3-butyl-4-methyl-2H-1,3-thiazole?
The canonical SMILES for 3-butyl-4-methyl-2H-1,3-thiazole is CCCCN1CSC=C1C.
What is the InChIKey of 3-butyl-4-methyl-2H-1,3-thiazole?
The InChIKey is OPLLIIZQWZYFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-4-5-9-7-10-6-8(9)2/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-butyl-4-methyl-2H-1,3-thiazole?
3-butyl-4-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-4-methyl-2H-1,3-thiazole is sourced from PubChem (CID 91246770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).