3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine

C14H17N3S — CID 79755405

IUPAC3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccccc1CCNc1nc(C2CC2)ns1
InChIInChI=1S/C14H17N3S/c1-10-4-2-3-5-11(10)8-9-15-14-16-13(17-18-14)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,15,16,17)
InChIKeyYMWJQUCZWRUODO-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.38
Rot. Bonds5

About 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 79755405) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID79755405
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccccc1CCNc1nc(C2CC2)ns1
InChIInChI=1S/C14H17N3S/c1-10-4-2-3-5-11(10)8-9-15-14-16-13(17-18-14)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,15,16,17)
InChIKeyYMWJQUCZWRUODO-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65276986
N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277212
3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133416956
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736408
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736381
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133358615
3-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65276950
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621
3-cyclopropyl-N-[(2,2-dimethylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
CID 103736534
1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
CID 104594431
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylphenyl)propanoic acid
CID 104572917
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 65276688

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 79755405) is 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine is Cc1ccccc1CCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YMWJQUCZWRUODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-4-2-3-5-11(10)8-9-15-14-16-13(17-18-14)12-6-7-12/h2-5,12H,6-9H2,1H3,(H,15,16,17).
What are the key properties of 3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 259.38 g/mol, XLogP of 3.38, 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-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79755405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).