3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine

C14H23N3S — CID 112745188

IUPAC3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(C(C2CC2)C2CC2)s1
InChIInChI=1S/C14H23N3S/c1-2-15-9-3-4-12-16-17-14(18-12)13(10-5-6-10)11-7-8-11/h10-11,13,15H,2-9H2,1H3
InChIKeyZNUNMAQDBCALPH-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.98
Rot. Bonds8

About 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine

3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 112745188) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID112745188
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(C(C2CC2)C2CC2)s1
InChIInChI=1S/C14H23N3S/c1-2-15-9-3-4-12-16-17-14(18-12)13(10-5-6-10)11-7-8-11/h10-11,13,15H,2-9H2,1H3
InChIKeyZNUNMAQDBCALPH-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(cycloheptylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 114459300
N-ethyl-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 113422543
N-[3-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 83151255
3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 103022742
N-(2-methoxyethyl)-3-[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 83138106
N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 104522764
2-methyl-N-[3-[5-(propoxymethyl)-1,3,4-thiadiazol-2-yl]propyl]propan-1-amine
CID 107941994
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185508
2-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107185607
3-[5-(2-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81116623
3-[5-(2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 114031492

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine (CID 112745188) is 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine is CCNCCCc1nnc(C(C2CC2)C2CC2)s1.
What is the InChIKey of 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is ZNUNMAQDBCALPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-15-9-3-4-12-16-17-14(18-12)13(10-5-6-10)11-7-8-11/h10-11,13,15H,2-9H2,1H3.
What are the key properties of 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine?
3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 265.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 112745188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).