5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H17N5S2 — CID 80650537

IUPAC5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(CCN)cnc1Sc1nnc(N(C)C)s1
InChIInChI=1S/C12H17N5S2/c1-8-6-9(4-5-13)7-14-10(8)18-12-16-15-11(19-12)17(2)3/h6-7H,4-5,13H2,1-3H3
InChIKeyQUFFTOIPKKLMHA-UHFFFAOYSA-N
MW295.44 g/mol
LogP1.96
Rot. Bonds5

About 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80650537) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80650537
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(CCN)cnc1Sc1nnc(N(C)C)s1
InChIInChI=1S/C12H17N5S2/c1-8-6-9(4-5-13)7-14-10(8)18-12-16-15-11(19-12)17(2)3/h6-7H,4-5,13H2,1-3H3
InChIKeyQUFFTOIPKKLMHA-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 649971
4-Methyl-1-[5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-yl]piperidin-4-amine
CID 177643054
4-Methyl-1-(5-pyridin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 177643622
5-{[3-(Trifluoromethyl)-2-pyridinyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 15942966
N-prop-2-enyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 17567426
6-[(5-Pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47070036
N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 119043235
1-[5-(5-Fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-methyl-3-(2-methylsulfanylethyl)thiourea
CID 87085161
5-{[5-(Trifluoromethyl)-2-pyridinyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 11837142
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 24567155
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 24567177
5-[1-(6-fluoro-3-pyridinyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 126830138

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80650537) is 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is Cc1cc(CCN)cnc1Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QUFFTOIPKKLMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-8-6-9(4-5-13)7-14-10(8)18-12-16-15-11(19-12)17(2)3/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 295.44 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-aminoethyl)-3-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80650537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).