4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride

C12H24ClNS — CID 174687755

IUPAC4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride
SMILESCCCCCCCCN1CSC=C1C.Cl
InChIInChI=1S/C12H23NS.ClH/c1-3-4-5-6-7-8-9-13-11-14-10-12(13)2;/h10H,3-9,11H2,1-2H3;1H
InChIKeyUWHRCWILAHECTG-UHFFFAOYSA-N
MW249.85 g/mol
LogP4.64
Rot. Bonds7

About 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride

4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride (PubChem CID 174687755) has the molecular formula C12H24ClNS and a molecular weight of 249.85 g/mol. Its IUPAC name is 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride
PubChem CID174687755
Molecular FormulaC12H24ClNS
Molecular Weight249.85 g/mol
Exact Mass249.13
IUPAC Name4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride
SMILESCCCCCCCCN1CSC=C1C.Cl
InChIInChI=1S/C12H23NS.ClH/c1-3-4-5-6-7-8-9-13-11-14-10-12(13)2;/h10H,3-9,11H2,1-2H3;1H
InChIKeyUWHRCWILAHECTG-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.85
LogP ≤ 54.64
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

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3-hexadecyl-2H-1,3-thiazole
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2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride (CID 174687755) is 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride is CCCCCCCCN1CSC=C1C.Cl.
What is the InChIKey of 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride?
The InChIKey is UWHRCWILAHECTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS.ClH/c1-3-4-5-6-7-8-9-13-11-14-10-12(13)2;/h10H,3-9,11H2,1-2H3;1H.
What are the key properties of 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride?
4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride has a molecular weight of 249.85 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-octyl-2H-1,3-thiazole;hydrochloride is sourced from PubChem (CID 174687755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).