4-butyl-2,5-dimethyl-1,3-thiazole

C9H15NS — CID 581380

IUPAC4-butyl-2,5-dimethyl-1,3-thiazole
SMILESCCCCc1nc(C)sc1C
InChIInChI=1S/C9H15NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H2,1-3H3
InChIKeyRNDHWFULLIRXAI-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.10
Rot. Bonds3

About 4-butyl-2,5-dimethyl-1,3-thiazole

4-butyl-2,5-dimethyl-1,3-thiazole (PubChem CID 581380) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-butyl-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-butyl-2,5-dimethyl-1,3-thiazole
PubChem CID581380
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-butyl-2,5-dimethyl-1,3-thiazole
SMILESCCCCc1nc(C)sc1C
InChIInChI=1S/C9H15NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H2,1-3H3
InChIKeyRNDHWFULLIRXAI-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.10
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-methylthiazole
CID 518856
2,5-Diethyl-4-propylthiazole
CID 55295881
5-Ethyl-2,4-dimethylthiazole
CID 162293
4-Ethyl-5-methyl-2-(1-methylethyl)thiazole
CID 593048
4-Ethyl-5-propylthiazole
CID 93597
Thiazole, 5-ethyl-4-methyl-2-(1-methylethyl)-
CID 3085038
2,4-Dimethyl-5-propylthiazole
CID 521079
4,5-Dimethyl-2-octylthiazole
CID 15847444
4-Ethyl-2-heptyl-5-methylthiazole
CID 71405846
4,5-Dimethyl-2-pentylthiazole
CID 86065201
2-Heptyl-4,5-dimethylthiazole
CID 86087427

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-butyl-2,5-dimethyl-1,3-thiazole (CID 581380) is 4-butyl-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-butyl-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-butyl-2,5-dimethyl-1,3-thiazole is CCCCc1nc(C)sc1C.
What is the InChIKey of 4-butyl-2,5-dimethyl-1,3-thiazole?
The InChIKey is RNDHWFULLIRXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H2,1-3H3.
What are the key properties of 4-butyl-2,5-dimethyl-1,3-thiazole?
4-butyl-2,5-dimethyl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 581380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).