N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C15H18N4S — CID 127863865

IUPACN-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCC3(C4CC4)CCC3)s2)nc1
InChIInChI=1S/C15H18N4S/c1-2-9-16-12(4-1)13-18-19-14(20-13)17-10-15(7-3-8-15)11-5-6-11/h1-2,4,9,11H,3,5-8,10H2,(H,17,19)
InChIKeyMWKJVUZWMKXPOJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.59
Rot. Bonds5

About N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 127863865) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID127863865
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCC3(C4CC4)CCC3)s2)nc1
InChIInChI=1S/C15H18N4S/c1-2-9-16-12(4-1)13-18-19-14(20-13)17-10-15(7-3-8-15)11-5-6-11/h1-2,4,9,11H,3,5-8,10H2,(H,17,19)
InChIKeyMWKJVUZWMKXPOJ-UHFFFAOYSA-N
XLogP3.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468195
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
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
3-cyclohexyl-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133454834
N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 86784838
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119855739
1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133454922
5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 133454814

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 127863865) is N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(NCC3(C4CC4)CCC3)s2)nc1.
What is the InChIKey of N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is MWKJVUZWMKXPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-2-9-16-12(4-1)13-18-19-14(20-13)17-10-15(7-3-8-15)11-5-6-11/h1-2,4,9,11H,3,5-8,10H2,(H,17,19).
What are the key properties of N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127863865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).