4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole

C9H14ClNOS — CID 43138243

IUPAC4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
SMILESCC(C)(C)OCc1nc(CCl)cs1
InChIInChI=1S/C9H14ClNOS/c1-9(2,3)12-5-8-11-7(4-10)6-13-8/h6H,4-5H2,1-3H3
InChIKeyNHUOXFAZAYEQDM-UHFFFAOYSA-N
MW219.74 g/mol
LogP3.20
Rot. Bonds3

About 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole

4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole (PubChem CID 43138243) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
PubChem CID43138243
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
SMILESCC(C)(C)OCc1nc(CCl)cs1
InChIInChI=1S/C9H14ClNOS/c1-9(2,3)12-5-8-11-7(4-10)6-13-8/h6H,4-5H2,1-3H3
InChIKeyNHUOXFAZAYEQDM-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole (CID 43138243) is 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole is CC(C)(C)OCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole?
The InChIKey is NHUOXFAZAYEQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-9(2,3)12-5-8-11-7(4-10)6-13-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole?
4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole has a molecular weight of 219.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 43138243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).