3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine

C16H19N3OS — CID 129004502

IUPAC3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESc1ccc([C@H]2OCC[C@@H]2CNc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C16H19N3OS/c1-2-4-11(5-3-1)14-13(8-9-20-14)10-17-16-18-15(19-21-16)12-6-7-12/h1-5,12-14H,6-10H2,(H,17,18,19)/t13-,14-/m1/s1
InChIKeyNXOOARHDQPMRCH-ZIAGYGMSSA-N
MW301.41 g/mol
LogP3.61
Rot. Bonds5

About 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 129004502) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID129004502
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESc1ccc([C@H]2OCC[C@@H]2CNc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C16H19N3OS/c1-2-4-11(5-3-1)14-13(8-9-20-14)10-17-16-18-15(19-21-16)12-6-7-12/h1-5,12-14H,6-10H2,(H,17,18,19)/t13-,14-/m1/s1
InChIKeyNXOOARHDQPMRCH-ZIAGYGMSSA-N
XLogP3.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 129004502) is 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine is c1ccc([C@H]2OCC[C@@H]2CNc2nc(C3CC3)ns2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NXOOARHDQPMRCH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-4-11(5-3-1)14-13(8-9-20-14)10-17-16-18-15(19-21-16)12-6-7-12/h1-5,12-14H,6-10H2,(H,17,18,19)/t13-,14-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 301.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 129004502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).