N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C16H13N5OS2 — CID 91624234

IUPACN-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1csc(CCNc2ncncc2-c2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C16H13N5OS2/c1-2-12(24-6-1)3-5-18-15-13(8-17-10-19-15)16-20-14(21-22-16)11-4-7-23-9-11/h1-2,4,6-10H,3,5H2,(H,17,18,19)
InChIKeyAQHWKFBRPZSCNY-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.97
Rot. Bonds6

About N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91624234) has the molecular formula C16H13N5OS2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91624234
Molecular FormulaC16H13N5OS2
Molecular Weight355.45 g/mol
Exact Mass355.06
IUPAC NameN-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1csc(CCNc2ncncc2-c2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C16H13N5OS2/c1-2-12(24-6-1)3-5-18-15-13(8-17-10-19-15)16-20-14(21-22-16)11-4-7-23-9-11/h1-2,4,6-10H,3,5H2,(H,17,18,19)
InChIKeyAQHWKFBRPZSCNY-UHFFFAOYSA-N
XLogP3.97
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91624234) is N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is c1csc(CCNc2ncncc2-c2nc(-c3ccsc3)no2)c1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is AQHWKFBRPZSCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS2/c1-2-12(24-6-1)3-5-18-15-13(8-17-10-19-15)16-20-14(21-22-16)11-4-7-23-9-11/h1-2,4,6-10H,3,5H2,(H,17,18,19).
What are the key properties of N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91624234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).