2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole

C10H16ClNOS — CID 79763870

IUPAC2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole
SMILESCC(C)(C)CCOCc1cnc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-10(2,3)4-5-13-7-8-6-12-9(11)14-8/h6H,4-5,7H2,1-3H3
InChIKeyVWFCUJVHSFJJEU-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole

2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole (PubChem CID 79763870) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole
PubChem CID79763870
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole
SMILESCC(C)(C)CCOCc1cnc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-10(2,3)4-5-13-7-8-6-12-9(11)14-8/h6H,4-5,7H2,1-3H3
InChIKeyVWFCUJVHSFJJEU-UHFFFAOYSA-N
XLogP3.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole (CID 79763870) is 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole is CC(C)(C)CCOCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole?
The InChIKey is VWFCUJVHSFJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-10(2,3)4-5-13-7-8-6-12-9(11)14-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole?
2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole has a molecular weight of 233.76 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,3-dimethylbutoxymethyl)-1,3-thiazole is sourced from PubChem (CID 79763870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).