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

C16H11ClN2O2S — CID 3262583

IUPAC(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate
SMILESCc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2S/c1-10-14(19-15(22-10)11-6-8-18-9-7-11)21-16(20)12-2-4-13(17)5-3-12/h2-9H,1H3
InChIKeyPVTGOMVXNKUOMJ-UHFFFAOYSA-N
MW330.80 g/mol
LogP4.39
Rot. Bonds3

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

(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate (PubChem CID 3262583) has the molecular formula C16H11ClN2O2S and a molecular weight of 330.80 g/mol. Its IUPAC name is (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate.

Molecular Properties

Compound Name(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate
PubChem CID3262583
Molecular FormulaC16H11ClN2O2S
Molecular Weight330.80 g/mol
Exact Mass330.02
IUPAC Name(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate
SMILESCc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2S/c1-10-14(19-15(22-10)11-6-8-18-9-7-11)21-16(20)12-2-4-13(17)5-3-12/h2-9H,1H3
InChIKeyPVTGOMVXNKUOMJ-UHFFFAOYSA-N
XLogP4.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-2-(2-pyridinyl)-1,3-thiazol-4-yl 3,4-dichlorobenzenecarboxylate
CID 3360695
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-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate
CID 118709538
Methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
CID 1475832
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-thiophenecarboxylate
CID 1474042
(4-Fluorophenyl) 3-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 118708383
2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl 2,4-difluorobenzenecarboxylate
CID 1474043

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate?
The IUPAC name of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate (CID 3262583) is (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate.
What is the SMILES notation for (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate?
The canonical SMILES for (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate is Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate?
The InChIKey is PVTGOMVXNKUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2S/c1-10-14(19-15(22-10)11-6-8-18-9-7-11)21-16(20)12-2-4-13(17)5-3-12/h2-9H,1H3.
What are the key properties of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate?
(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate has a molecular weight of 330.80 g/mol, XLogP of 4.39, 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-4-yl-1,3-thiazol-4-yl) 4-chlorobenzoate is sourced from PubChem (CID 3262583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).