3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride

C11H6Cl3NOS — CID 154099500

IUPAC3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride
SMILESCc1snc(-c2ccc(Cl)cc2Cl)c1C(=O)Cl
InChIInChI=1S/C11H6Cl3NOS/c1-5-9(11(14)16)10(15-17-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3
InChIKeyDPZRBRDSTGAGON-UHFFFAOYSA-N
MW306.60 g/mol
LogP4.80
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride

3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride (PubChem CID 154099500) has the molecular formula C11H6Cl3NOS and a molecular weight of 306.60 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride
PubChem CID154099500
Molecular FormulaC11H6Cl3NOS
Molecular Weight306.60 g/mol
Exact Mass304.92
IUPAC Name3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride
SMILESCc1snc(-c2ccc(Cl)cc2Cl)c1C(=O)Cl
InChIInChI=1S/C11H6Cl3NOS/c1-5-9(11(14)16)10(15-17-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3
InChIKeyDPZRBRDSTGAGON-UHFFFAOYSA-N
XLogP4.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.60
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
CID 22087237
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 119006979
3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362315
3-(2,4-dichlorophenyl)-1,2,4-thiadiazole-5-carboxylic acid
CID 22229255
2-bromo-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094854
4-(2,4-dichlorophenyl)-5-(4-methylphenyl)sulfinylthiadiazole
CID 1474067
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
2-(2,4-dichlorophenyl)benzoyl chloride
CID 171785287
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
1-[4-(2,4-dichlorophenyl)-2,6-bis(methylsulfonyl)pyrimidin-5-yl]ethanone
CID 69198047

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride (CID 154099500) is 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride is Cc1snc(-c2ccc(Cl)cc2Cl)c1C(=O)Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride?
The InChIKey is DPZRBRDSTGAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NOS/c1-5-9(11(14)16)10(15-17-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride?
3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride has a molecular weight of 306.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole-4-carbonyl chloride is sourced from PubChem (CID 154099500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).