5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H17N5S2 — CID 55241439

IUPAC5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)C(Sc1nnc(N(C)C)s1)c1ccccn1
InChIInChI=1S/C12H17N5S2/c1-8(13)10(9-6-4-5-7-14-9)18-12-16-15-11(19-12)17(2)3/h4-8,10H,13H2,1-3H3
InChIKeyJRQMEOLDFLXCFZ-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.18
Rot. Bonds5

About 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 55241439) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID55241439
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCC(N)C(Sc1nnc(N(C)C)s1)c1ccccn1
InChIInChI=1S/C12H17N5S2/c1-8(13)10(9-6-4-5-7-14-9)18-12-16-15-11(19-12)17(2)3/h4-8,10H,13H2,1-3H3
InChIKeyJRQMEOLDFLXCFZ-UHFFFAOYSA-N
XLogP2.18
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739393
1-(3-methylbutan-2-ylsulfanyl)-1-pyridin-2-ylpropan-2-amine
CID 107748726
5-[1-(4-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737460
5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 83123666
5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738884
5-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738168
1-(3-methylbutylsulfanyl)-1-pyridin-2-ylpropan-2-amine
CID 107749133
5-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55243373
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
5-[2-amino-1-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241820

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 55241439) is 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CC(N)C(Sc1nnc(N(C)C)s1)c1ccccn1.
What is the InChIKey of 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JRQMEOLDFLXCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-8(13)10(9-6-4-5-7-14-9)18-12-16-15-11(19-12)17(2)3/h4-8,10H,13H2,1-3H3.
What are the key properties of 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 295.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55241439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).