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

C16H10Cl2N2O2S — CID 3360695

IUPAC(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate
SMILESCc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2N2O2S/c1-9-14(20-15(23-9)13-4-2-3-7-19-13)22-16(21)10-5-6-11(17)12(18)8-10/h2-8H,1H3
InChIKeyMABKXYZSTGKNMS-UHFFFAOYSA-N
MW365.24 g/mol
LogP5.04
Rot. Bonds3

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

(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate (PubChem CID 3360695) has the molecular formula C16H10Cl2N2O2S and a molecular weight of 365.24 g/mol. Its IUPAC name is (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate.

Molecular Properties

Compound Name(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate
PubChem CID3360695
Molecular FormulaC16H10Cl2N2O2S
Molecular Weight365.24 g/mol
Exact Mass363.98
IUPAC Name(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate
SMILESCc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2N2O2S/c1-9-14(20-15(23-9)13-4-2-3-7-19-13)22-16(21)10-5-6-11(17)12(18)8-10/h2-8H,1H3
InChIKeyMABKXYZSTGKNMS-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

5-Methyl-2-(2-pyridinyl)-1,3-thiazol-4-yl 2,4-difluorobenzenecarboxylate
CID 3730790
5-Methyl-2-(2-pyridinyl)-1,3-thiazol-4-yl 4-chlorobenzenecarboxylate
CID 3801800
5-Methyl-2-(4-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate
CID 4353060
Ethyl 4-(2,3-dichlorophenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643517
4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester
CID 3262583
5-Methyl-2-(4-pyridinyl)-1,3-thiazol-4-yl 2,4-difluorobenzenecarboxylate
CID 3506632
5-Methyl-2-(4-pyridinyl)-1,3-thiazol-4-yl 3,5-dichlorobenzenecarboxylate
CID 3759505
5-Methyl-2-(2-pyridinyl)-1,3-thiazol-4-yl 2,3-dichlorobenzenecarboxylate
CID 3808680
2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl 2,4-difluorobenzenecarboxylate
CID 1474043
5-Methyl-2-(2-pyridinyl)-1,3-thiazol-4-yl 3-(trifluoromethyl)benzenecarboxylate
CID 3707935
5-Methyl-2-(4-pyridinyl)-1,3-thiazol-4-yl 4-(trifluoromethyl)benzenecarboxylate
CID 3821185
5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl 3,4-dichlorobenzenecarboxylate
CID 3299495

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate?
The IUPAC name of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate (CID 3360695) is (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate.
What is the SMILES notation for (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate?
The canonical SMILES for (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate is Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate?
The InChIKey is MABKXYZSTGKNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2S/c1-9-14(20-15(23-9)13-4-2-3-7-19-13)22-16(21)10-5-6-11(17)12(18)8-10/h2-8H,1H3.
What are the key properties of (5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate?
(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 3,4-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-2-yl-1,3-thiazol-4-yl) 3,4-dichlorobenzoate is sourced from PubChem (CID 3360695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).