4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole

C11H18ClNOS — CID 43138174

IUPAC4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole
SMILESCC(C)COCCCc1nc(CCl)cs1
InChIInChI=1S/C11H18ClNOS/c1-9(2)7-14-5-3-4-11-13-10(6-12)8-15-11/h8-9H,3-7H2,1-2H3
InChIKeyUASMREGLGONXKI-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.49
Rot. Bonds7

About 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole

4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole (PubChem CID 43138174) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole
PubChem CID43138174
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole
SMILESCC(C)COCCCc1nc(CCl)cs1
InChIInChI=1S/C11H18ClNOS/c1-9(2)7-14-5-3-4-11-13-10(6-12)8-15-11/h8-9H,3-7H2,1-2H3
InChIKeyUASMREGLGONXKI-UHFFFAOYSA-N
XLogP3.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.49
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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Related Compounds

4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole
CID 114341703
2-[3-(4-butan-2-ylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107667094
4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxy)butyl]-1,3-thiazole
CID 54966697
4-(chloromethyl)-2-[3-(3,5-dimethylcyclohexyl)oxypropyl]-1,3-thiazole
CID 64729805
N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N,3-dimethylbutan-1-amine
CID 61428899
4-(chloromethyl)-2-[3-(3,4-dimethylphenoxy)propyl]-1,3-thiazole
CID 43320166
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-bis(2-methoxyethyl)propan-1-amine
CID 61418492
N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylbutan-2-amine
CID 43273176
4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
CID 62785809
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105
2-[3-(4-bromo-3,5-dimethylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107725433
4-(chloromethyl)-2-[3-(3-methylphenoxy)propyl]-1,3-thiazole
CID 43320168

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole (CID 43138174) is 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole is CC(C)COCCCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole?
The InChIKey is UASMREGLGONXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-9(2)7-14-5-3-4-11-13-10(6-12)8-15-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole has a molecular weight of 247.79 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(2-methylpropoxy)propyl]-1,3-thiazole is sourced from PubChem (CID 43138174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).