4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole

C10H16ClNOS — CID 43138252

IUPAC4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole
SMILESCCC(C)(C)OCc1nc(CCl)cs1
InChIInChI=1S/C10H16ClNOS/c1-4-10(2,3)13-6-9-12-8(5-11)7-14-9/h7H,4-6H2,1-3H3
InChIKeyVLDYKRCYIOLFIJ-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.59
Rot. Bonds5

About 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole

4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole (PubChem CID 43138252) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole
PubChem CID43138252
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole
SMILESCCC(C)(C)OCc1nc(CCl)cs1
InChIInChI=1S/C10H16ClNOS/c1-4-10(2,3)13-6-9-12-8(5-11)7-14-9/h7H,4-6H2,1-3H3
InChIKeyVLDYKRCYIOLFIJ-UHFFFAOYSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methylbutan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62457385
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965544
4-(chloromethyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116705109
4-(chloromethyl)-2-(octan-2-yloxymethyl)-1,3-thiazole
CID 43138236
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3-ethylpentan-3-yl)acetamide
CID 65042316
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79390196
4-(chloromethyl)-2-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102982901
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-ethyl-2-methoxyethanamine
CID 61446641
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
CID 43138224
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylpropan-2-amine
CID 43138343
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole (CID 43138252) is 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole is CCC(C)(C)OCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole?
The InChIKey is VLDYKRCYIOLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-4-10(2,3)13-6-9-12-8(5-11)7-14-9/h7H,4-6H2,1-3H3.
What are the key properties of 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole?
4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole has a molecular weight of 233.76 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-methylbutan-2-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 43138252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).