(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate

C16H10Cl2N2O2S — CID 3464763

IUPAC(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate
SMILESCc1sc(-c2cccnc2)nc1OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O2S/c1-9-14(20-15(23-9)10-3-2-6-19-8-10)22-16(21)12-5-4-11(17)7-13(12)18/h2-8H,1H3
InChIKeyMKXZZOWOLGNLPZ-UHFFFAOYSA-N
MW365.24 g/mol
LogP5.04
Rot. Bonds3

About (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate

(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate (PubChem CID 3464763) has the molecular formula C16H10Cl2N2O2S and a molecular weight of 365.24 g/mol. Its IUPAC name is (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate
PubChem CID3464763
Molecular FormulaC16H10Cl2N2O2S
Molecular Weight365.24 g/mol
Exact Mass363.98
IUPAC Name(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate
SMILESCc1sc(-c2cccnc2)nc1OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O2S/c1-9-14(20-15(23-9)10-3-2-6-19-8-10)22-16(21)12-5-4-11(17)7-13(12)18/h2-8H,1H3
InChIKeyMKXZZOWOLGNLPZ-UHFFFAOYSA-N
XLogP5.04
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.24
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
[(Z)-pyridin-3-ylmethylideneamino] 2,4-dichlorobenzoate
CID 42558521
(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 1476061
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 22628100
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 3430707
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
CID 118609209
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110650067
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
2-methoxyimino-N-methyl-2-[2-[(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]acetamide
CID 91184019
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate?
The IUPAC name of (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate (CID 3464763) is (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate is Cc1sc(-c2cccnc2)nc1OC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate?
The InChIKey is MKXZZOWOLGNLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2S/c1-9-14(20-15(23-9)10-3-2-6-19-8-10)22-16(21)12-5-4-11(17)7-13(12)18/h2-8H,1H3.
What are the key properties of (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate?
(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate has a molecular weight of 365.24 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) 2,4-dichlorobenzoate is sourced from PubChem (CID 3464763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).