pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate

C13H14N2O2S — CID 21415069

IUPACpyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)OCc2ccccn2)s1
InChIInChI=1S/C13H14N2O2S/c1-2-5-12-15-8-11(18-12)13(16)17-9-10-6-3-4-7-14-10/h3-4,6-8H,2,5,9H2,1H3
InChIKeyINDNKYZEWVJYLZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.85
Rot. Bonds5

About pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate

pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate (PubChem CID 21415069) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate
PubChem CID21415069
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namepyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)OCc2ccccn2)s1
InChIInChI=1S/C13H14N2O2S/c1-2-5-12-15-8-11(18-12)13(16)17-9-10-6-3-4-7-14-10/h3-4,6-8H,2,5,9H2,1H3
InChIKeyINDNKYZEWVJYLZ-UHFFFAOYSA-N
XLogP2.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

but-3-ynyl 2-propyl-1,3-thiazole-5-carboxylate
CID 71988250
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
pyridin-2-ylmethyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 46558804
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
pyridin-2-ylmethyl 2,2-dimethylpentanoate
CID 3053080
methyl 2-(2-phenylethyl)-1,3-thiazole-5-carboxylate
CID 80572742
ethane;ethyl 2-(3-oxopropyl)-1,3-thiazole-5-carboxylate
CID 145400595
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
pyridin-2-ylmethyl 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 43021630
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
CID 43008926

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate (CID 21415069) is pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate is CCCc1ncc(C(=O)OCc2ccccn2)s1.
What is the InChIKey of pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is INDNKYZEWVJYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-5-12-15-8-11(18-12)13(16)17-9-10-6-3-4-7-14-10/h3-4,6-8H,2,5,9H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate?
pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 21415069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).