(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

C17H15N5O2S2 — CID 55665345

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCc1cc(C)n2nc(CC(=O)OCc3csc(-c4ccsc4)n3)nc2n1
InChIInChI=1S/C17H15N5O2S2/c1-10-5-11(2)22-17(18-10)20-14(21-22)6-15(23)24-7-13-9-26-16(19-13)12-3-4-25-8-12/h3-5,8-9H,6-7H2,1-2H3
InChIKeyMDTYRQJQKNIBMU-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.21
Rot. Bonds5

About (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (PubChem CID 55665345) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
PubChem CID55665345
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
SMILESCc1cc(C)n2nc(CC(=O)OCc3csc(-c4ccsc4)n3)nc2n1
InChIInChI=1S/C17H15N5O2S2/c1-10-5-11(2)22-17(18-10)20-14(21-22)6-15(23)24-7-13-9-26-16(19-13)12-3-4-25-8-12/h3-5,8-9H,6-7H2,1-2H3
InChIKeyMDTYRQJQKNIBMU-UHFFFAOYSA-N
XLogP3.21
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 40767085
(2-amino-2-oxoethyl) 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129066
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 55663213
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8850024
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55404515
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
CID 55665428
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8972341
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8941213
[2-(1-adamantyl)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129451
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 8945238
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate
CID 8849808
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (CID 55665345) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is Cc1cc(C)n2nc(CC(=O)OCc3csc(-c4ccsc4)n3)nc2n1.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
The InChIKey is MDTYRQJQKNIBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-10-5-11(2)22-17(18-10)20-14(21-22)6-15(23)24-7-13-9-26-16(19-13)12-3-4-25-8-12/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate has a molecular weight of 385.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is sourced from PubChem (CID 55665345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).