2,2-dimethyl-1,3-thiazole-3-carbonyl chloride

C6H8ClNOS — CID 141486503

IUPAC2,2-dimethyl-1,3-thiazole-3-carbonyl chloride
SMILESCC1(C)SC=CN1C(=O)Cl
InChIInChI=1S/C6H8ClNOS/c1-6(2)8(5(7)9)3-4-10-6/h3-4H,1-2H3
InChIKeyARGWNJJUALQHFB-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.60
Rot. Bonds

About 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride

2,2-dimethyl-1,3-thiazole-3-carbonyl chloride (PubChem CID 141486503) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride.

Molecular Properties

Compound Name2,2-dimethyl-1,3-thiazole-3-carbonyl chloride
PubChem CID141486503
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name2,2-dimethyl-1,3-thiazole-3-carbonyl chloride
SMILESCC1(C)SC=CN1C(=O)Cl
InChIInChI=1S/C6H8ClNOS/c1-6(2)8(5(7)9)3-4-10-6/h3-4H,1-2H3
InChIKeyARGWNJJUALQHFB-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Thiazole-3-carbonyl chloride
CID 129745323
3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
3-Tert-butyl-1,3-thiazol-2-one
CID 118602686
2,2-Dimethyl-1,3-thiazole-3-carbaldehyde
CID 175310274
3-Propyl-1,3-thiazol-2-one
CID 13828888
3-(2-Methylsulfanylethyl)-1,3-thiazol-2-one
CID 115749773

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride?
The IUPAC name of 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride (CID 141486503) is 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride.
What is the SMILES notation for 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride?
The canonical SMILES for 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride is CC1(C)SC=CN1C(=O)Cl.
What is the InChIKey of 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride?
The InChIKey is ARGWNJJUALQHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-6(2)8(5(7)9)3-4-10-6/h3-4H,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride?
2,2-dimethyl-1,3-thiazole-3-carbonyl chloride has a molecular weight of 177.66 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-thiazole-3-carbonyl chloride is sourced from PubChem (CID 141486503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).