2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C6H6Cl2N2OS — CID 5163337

IUPAC2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)C(Cl)Cl)n1
InChIInChI=1S/C6H6Cl2N2OS/c1-3-2-12-6(9-3)10-5(11)4(7)8/h2,4H,1H3,(H,9,10,11)
InChIKeyIWCZIXXWJOULGH-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.19
Rot. Bonds2

About 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 5163337) has the molecular formula C6H6Cl2N2OS and a molecular weight of 225.10 g/mol. Its IUPAC name is 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID5163337
Molecular FormulaC6H6Cl2N2OS
Molecular Weight225.10 g/mol
Exact Mass223.96
IUPAC Name2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)C(Cl)Cl)n1
InChIInChI=1S/C6H6Cl2N2OS/c1-3-2-12-6(9-3)10-5(11)4(7)8/h2,4H,1H3,(H,9,10,11)
InChIKeyIWCZIXXWJOULGH-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
2-Acetamido-4-chloromethylthiazole
CID 81963
Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide
CID 540331
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
CID 14962244
N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide
CID 2326483
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1133016
2-Acetamido-4-methylthiomethylthiazole
CID 47263059
N-(4-(fluoromethyl)thiazol-2-yl)acetamide
CID 59293708
N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 155193876

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 5163337) is 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)C(Cl)Cl)n1.
What is the InChIKey of 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IWCZIXXWJOULGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2OS/c1-3-2-12-6(9-3)10-5(11)4(7)8/h2,4H,1H3,(H,9,10,11).
What are the key properties of 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 225.10 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5163337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).