4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole

C15H24ClNOS — CID 114341703

IUPAC4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole
SMILESCC1(C)CCC(OCCCc2nc(CCl)cs2)CC1
InChIInChI=1S/C15H24ClNOS/c1-15(2)7-5-13(6-8-15)18-9-3-4-14-17-12(10-16)11-19-14/h11,13H,3-10H2,1-2H3
InChIKeyBZTZHQJAAOABQL-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.80
Rot. Bonds6

About 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole

4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole (PubChem CID 114341703) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole
PubChem CID114341703
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole
SMILESCC1(C)CCC(OCCCc2nc(CCl)cs2)CC1
InChIInChI=1S/C15H24ClNOS/c1-15(2)7-5-13(6-8-15)18-9-3-4-14-17-12(10-16)11-19-14/h11,13H,3-10H2,1-2H3
InChIKeyBZTZHQJAAOABQL-UHFFFAOYSA-N
XLogP4.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole (CID 114341703) is 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole is CC1(C)CCC(OCCCc2nc(CCl)cs2)CC1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole?
The InChIKey is BZTZHQJAAOABQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-15(2)7-5-13(6-8-15)18-9-3-4-14-17-12(10-16)11-19-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole has a molecular weight of 301.88 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole is sourced from PubChem (CID 114341703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).