3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine

C15H19N3S — CID 133358780

IUPAC3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)C(Nc1nc(C2CC2)ns1)c1ccccc1
InChIInChI=1S/C15H19N3S/c1-10(2)13(11-6-4-3-5-7-11)16-15-17-14(18-19-15)12-8-9-12/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,17,18)
InChIKeySPFDBUSHEVPSEJ-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.22
Rot. Bonds5

About 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133358780) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133358780
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)C(Nc1nc(C2CC2)ns1)c1ccccc1
InChIInChI=1S/C15H19N3S/c1-10(2)13(11-6-4-3-5-7-11)16-15-17-14(18-19-15)12-8-9-12/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,17,18)
InChIKeySPFDBUSHEVPSEJ-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133345383
3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352605
N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271478
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
3-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-thiadiazol-5-amine
CID 133335502
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133378772
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65274507
3-cyclopropyl-N-[1-(2-methoxyphenyl)-3-methylbutyl]-1,2,4-thiadiazol-5-amine
CID 133428494
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277160
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide
CID 133394625

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine (CID 133358780) is 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)C(Nc1nc(C2CC2)ns1)c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SPFDBUSHEVPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(2)13(11-6-4-3-5-7-11)16-15-17-14(18-19-15)12-8-9-12/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 273.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133358780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).