3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine

C15H19N3OS — CID 133335358

IUPAC3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Oc1ccc(CNc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)19-13-7-3-11(4-8-13)9-16-15-17-14(18-20-15)12-5-6-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,16,17,18)
InChIKeyKNFVWIRDBOVDBW-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.81
Rot. Bonds6

About 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133335358) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133335358
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Oc1ccc(CNc2nc(C3CC3)ns2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)19-13-7-3-11(4-8-13)9-16-15-17-14(18-20-15)12-5-6-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,16,17,18)
InChIKeyKNFVWIRDBOVDBW-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 133335358) is 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is CC(C)Oc1ccc(CNc2nc(C3CC3)ns2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is KNFVWIRDBOVDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)19-13-7-3-11(4-8-13)9-16-15-17-14(18-20-15)12-5-6-12/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,16,17,18).
What are the key properties of 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 289.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133335358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).