(2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate

C18H22N2O2S — CID 75375858

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate
SMILESCc1nc(C)c(COC(=O)c2ccc(N3CCCCC3)cc2)s1
InChIInChI=1S/C18H22N2O2S/c1-13-17(23-14(2)19-13)12-22-18(21)15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3
InChIKeyPURDUJWWAOXIQE-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.11
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate

(2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate (PubChem CID 75375858) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate
PubChem CID75375858
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate
SMILESCc1nc(C)c(COC(=O)c2ccc(N3CCCCC3)cc2)s1
InChIInChI=1S/C18H22N2O2S/c1-13-17(23-14(2)19-13)12-22-18(21)15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3
InChIKeyPURDUJWWAOXIQE-UHFFFAOYSA-N
XLogP4.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110328814
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 56528439
amino 4-pyrrolidin-1-ylbenzoate
CID 23055620
butyl 4-(4-piperidin-1-ylphenyl)sulfonylbenzoate
CID 21178229
2-(4-piperidin-1-ylbenzoyl)oxyethanesulfonic acid
CID 129061932
2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110374646
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 75523078
ethyl 2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 58229031
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
CID 7378841
ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 121122580

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate (CID 75375858) is (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate is Cc1nc(C)c(COC(=O)c2ccc(N3CCCCC3)cc2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate?
The InChIKey is PURDUJWWAOXIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-17(23-14(2)19-13)12-22-18(21)15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate?
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate has a molecular weight of 330.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 4-piperidin-1-ylbenzoate is sourced from PubChem (CID 75375858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).