[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate

C19H18N2O2S — CID 166360166

IUPAC[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate
SMILESCc1ncsc1-c1ccc(COC(=O)CCc2ccncc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-14-19(24-13-21-14)17-5-2-16(3-6-17)12-23-18(22)7-4-15-8-10-20-11-9-15/h2-3,5-6,8-11,13H,4,7,12H2,1H3
InChIKeyZEECHRJQALMJHJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.19
Rot. Bonds6

About [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate

[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate (PubChem CID 166360166) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate
PubChem CID166360166
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate
SMILESCc1ncsc1-c1ccc(COC(=O)CCc2ccncc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-14-19(24-13-21-14)17-5-2-16(3-6-17)12-23-18(22)7-4-15-8-10-20-11-9-15/h2-3,5-6,8-11,13H,4,7,12H2,1H3
InChIKeyZEECHRJQALMJHJ-UHFFFAOYSA-N
XLogP4.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
CID 167256669
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
methyl 3-pyridin-4-ylpropanoate
CID 3704115
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
(5-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-6-yl)propanoate
CID 166360199
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
CID 126602141
azane;benzyl 3-phenylpropanoate
CID 175136325
2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one
CID 157064546

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate?
The IUPAC name of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate (CID 166360166) is [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate is Cc1ncsc1-c1ccc(COC(=O)CCc2ccncc2)cc1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate?
The InChIKey is ZEECHRJQALMJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-19(24-13-21-14)17-5-2-16(3-6-17)12-23-18(22)7-4-15-8-10-20-11-9-15/h2-3,5-6,8-11,13H,4,7,12H2,1H3.
What are the key properties of [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate?
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate has a molecular weight of 338.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl 3-pyridin-4-ylpropanoate is sourced from PubChem (CID 166360166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).