pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C15H12N2O2S2 — CID 43021631

IUPACpyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccs2)n1)OCc1ccccn1
InChIInChI=1S/C15H12N2O2S2/c18-14(19-9-11-4-1-2-6-16-11)8-12-10-21-15(17-12)13-5-3-7-20-13/h1-7,10H,8-9H2
InChIKeyMMBLRPQQMZNTHE-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.55
Rot. Bonds5

About pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 43021631) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID43021631
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Namepyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccs2)n1)OCc1ccccn1
InChIInChI=1S/C15H12N2O2S2/c18-14(19-9-11-4-1-2-6-16-11)8-12-10-21-15(17-12)13-5-3-7-20-13/h1-7,10H,8-9H2
InChIKeyMMBLRPQQMZNTHE-UHFFFAOYSA-N
XLogP3.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyanophenyl)methyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27774879
(2,5-dimethoxyphenyl)methyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 39966951
(2,3,6-trimethylphenyl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 16562698
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505147
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 27775127
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505297
pyridin-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61320697
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826623
(4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8897974
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 18169739

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 43021631) is pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccs2)n1)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is MMBLRPQQMZNTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c18-14(19-9-11-4-1-2-6-16-11)8-12-10-21-15(17-12)13-5-3-7-20-13/h1-7,10H,8-9H2.
What are the key properties of pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 316.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 43021631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).