2-butyl-5-ethyl-4-methyl-1,3-thiazole

C10H17NS — CID 55296074

IUPAC2-butyl-5-ethyl-4-methyl-1,3-thiazole
SMILESCCCCc1nc(C)c(CC)s1
InChIInChI=1S/C10H17NS/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3
InChIKeyDLQAOPSTXFKJFN-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.36
Rot. Bonds4

About 2-butyl-5-ethyl-4-methyl-1,3-thiazole

2-butyl-5-ethyl-4-methyl-1,3-thiazole (PubChem CID 55296074) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-butyl-5-ethyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-butyl-5-ethyl-4-methyl-1,3-thiazole
PubChem CID55296074
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-butyl-5-ethyl-4-methyl-1,3-thiazole
SMILESCCCCc1nc(C)c(CC)s1
InChIInChI=1S/C10H17NS/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3
InChIKeyDLQAOPSTXFKJFN-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2,5-dimethylthiazole
CID 36098
2,5-Diethyl-4-propylthiazole
CID 55295881
2,5-Diethyl-4-methylthiazole
CID 518856
5-Ethyl-2,4-dimethylthiazole
CID 162293
4,5-Dimethyl-2-propylthiazole
CID 521080
4-Ethyl-5-methyl-2-(1-methylethyl)thiazole
CID 593048
5-Ethyl-4-methylthiazole
CID 40380
Thiazole, 5-ethyl-4-methyl-2-(1-methylethyl)-
CID 3085038
4-Butyl-2,5-dimethylthiazole
CID 581380
2,4-Dimethyl-5-propylthiazole
CID 521079
4,5-Dimethyl-2-octylthiazole
CID 15847444
4-Ethyl-2-heptyl-5-methylthiazole
CID 71405846

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-ethyl-4-methyl-1,3-thiazole?
The IUPAC name of 2-butyl-5-ethyl-4-methyl-1,3-thiazole (CID 55296074) is 2-butyl-5-ethyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-butyl-5-ethyl-4-methyl-1,3-thiazole?
The canonical SMILES for 2-butyl-5-ethyl-4-methyl-1,3-thiazole is CCCCc1nc(C)c(CC)s1.
What is the InChIKey of 2-butyl-5-ethyl-4-methyl-1,3-thiazole?
The InChIKey is DLQAOPSTXFKJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3.
What are the key properties of 2-butyl-5-ethyl-4-methyl-1,3-thiazole?
2-butyl-5-ethyl-4-methyl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-ethyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 55296074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).