N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C15H20N4S — CID 133468195

IUPACN-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCCCC3CCCC3)s2)nc1
InChIInChI=1S/C15H20N4S/c1-2-7-12(6-1)8-5-11-17-15-19-18-14(20-15)13-9-3-4-10-16-13/h3-4,9-10,12H,1-2,5-8,11H2,(H,17,19)
InChIKeyUAMFGCPTGQSKGL-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.98
Rot. Bonds6

About N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133468195) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133468195
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCCCC3CCCC3)s2)nc1
InChIInChI=1S/C15H20N4S/c1-2-7-12(6-1)8-5-11-17-15-19-18-14(20-15)13-9-3-4-10-16-13/h3-4,9-10,12H,1-2,5-8,11H2,(H,17,19)
InChIKeyUAMFGCPTGQSKGL-UHFFFAOYSA-N
XLogP3.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 127863865
N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442238
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442121
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 133454814
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175
3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133454834
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442342
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065
1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133454922

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133468195) is N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(NCCCC3CCCC3)s2)nc1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is UAMFGCPTGQSKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-7-12(6-1)8-5-11-17-15-19-18-14(20-15)13-9-3-4-10-16-13/h3-4,9-10,12H,1-2,5-8,11H2,(H,17,19).
What are the key properties of N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133468195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).