3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine

C16H15N5S — CID 2739901

IUPAC3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine
SMILESCc1nc(C2CC2)ncc1-c1nsc(Nc2ccccc2)n1
InChIInChI=1S/C16H15N5S/c1-10-13(9-17-14(18-10)11-7-8-11)15-20-16(22-21-15)19-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,19,20,21)
InChIKeyGOMXVFAJEPCDHR-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.92
Rot. Bonds4

About 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine

3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 2739901) has the molecular formula C16H15N5S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID2739901
Molecular FormulaC16H15N5S
Molecular Weight309.40 g/mol
Exact Mass309.10
IUPAC Name3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine
SMILESCc1nc(C2CC2)ncc1-c1nsc(Nc2ccccc2)n1
InChIInChI=1S/C16H15N5S/c1-10-13(9-17-14(18-10)11-7-8-11)15-20-16(22-21-15)19-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,19,20,21)
InChIKeyGOMXVFAJEPCDHR-UHFFFAOYSA-N
XLogP3.92
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine (CID 2739901) is 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine is Cc1nc(C2CC2)ncc1-c1nsc(Nc2ccccc2)n1.
What is the InChIKey of 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is GOMXVFAJEPCDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S/c1-10-13(9-17-14(18-10)11-7-8-11)15-20-16(22-21-15)19-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,19,20,21).
What are the key properties of 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine?
3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 309.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 2739901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).