1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one

C13H11Cl2NOS — CID 62795300

IUPAC1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl2NOS/c1-8-7-18-13(16-8)6-9(17)5-10-11(14)3-2-4-12(10)15/h2-4,7H,5-6H2,1H3
InChIKeyGMELKUKXGKIECN-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.11
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one

1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 62795300) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
PubChem CID62795300
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
SMILESCc1csc(CC(=O)Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl2NOS/c1-8-7-18-13(16-8)6-9(17)5-10-11(14)3-2-4-12(10)15/h2-4,7H,5-6H2,1H3
InChIKeyGMELKUKXGKIECN-UHFFFAOYSA-N
XLogP4.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796005
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
1-(2-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62796856
1-(2,3-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62795128
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 103039345
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
CID 131842856
CID 131842856
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977103

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one (CID 62795300) is 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is Cc1csc(CC(=O)Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is GMELKUKXGKIECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c1-8-7-18-13(16-8)6-9(17)5-10-11(14)3-2-4-12(10)15/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one?
1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 300.21 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 62795300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).