2-hexyl-5-methyl-1,3-thiazole

C10H17NS — CID 91750864

IUPAC2-hexyl-5-methyl-1,3-thiazole
SMILESCCCCCCc1ncc(C)s1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-7-10-11-8-9(2)12-10/h8H,3-7H2,1-2H3
InChIKeyIHFKZGXKLAXSPR-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.57
Rot. Bonds5

About 2-hexyl-5-methyl-1,3-thiazole

2-hexyl-5-methyl-1,3-thiazole (PubChem CID 91750864) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-hexyl-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-hexyl-5-methyl-1,3-thiazole
PubChem CID91750864
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-hexyl-5-methyl-1,3-thiazole
SMILESCCCCCCc1ncc(C)s1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-7-10-11-8-9(2)12-10/h8H,3-7H2,1-2H3
InChIKeyIHFKZGXKLAXSPR-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Dimethylthiazole
CID 77837
2,5-Diethylthiazole
CID 85073
5-Methyl-2-pentylthiazole
CID 55296073
2-Ethyl-5-methylthiazole
CID 519733
2,5-Dipropylthiazole
CID 588151
2-Butyl-5-methylthiazole
CID 574900
5-Methyl-2-(tributylstannyl)thiazole
CID 16427131
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24279096
(5-Methyl-1,3-thiazol-2-yl)acetonitrile
CID 2465946
2-Isobutyl-5-methylthiazole
CID 574811
2-Methyl-5-propylthiazole
CID 574547

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-methyl-1,3-thiazole?
The IUPAC name of 2-hexyl-5-methyl-1,3-thiazole (CID 91750864) is 2-hexyl-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-hexyl-5-methyl-1,3-thiazole?
The canonical SMILES for 2-hexyl-5-methyl-1,3-thiazole is CCCCCCc1ncc(C)s1.
What is the InChIKey of 2-hexyl-5-methyl-1,3-thiazole?
The InChIKey is IHFKZGXKLAXSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-6-7-10-11-8-9(2)12-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-hexyl-5-methyl-1,3-thiazole?
2-hexyl-5-methyl-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methyl-1,3-thiazole is sourced from PubChem (CID 91750864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).