N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C12H22N4S2 — CID 9379585

IUPACN-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCC[C@H]2CCCCN2C)s1
InChIInChI=1S/C12H22N4S2/c1-3-13-11-14-15-12(18-11)17-9-7-10-6-4-5-8-16(10)2/h10H,3-9H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyNYLJDJOMQAPFRB-SNVBAGLBSA-N
MW286.47 g/mol
LogP2.94
Rot. Bonds6

About N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 9379585) has the molecular formula C12H22N4S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID9379585
Molecular FormulaC12H22N4S2
Molecular Weight286.47 g/mol
Exact Mass286.13
IUPAC NameN-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCC[C@H]2CCCCN2C)s1
InChIInChI=1S/C12H22N4S2/c1-3-13-11-14-15-12(18-11)17-9-7-10-6-4-5-8-16(10)2/h10H,3-9H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyNYLJDJOMQAPFRB-SNVBAGLBSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 47119742
5-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 47095130
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 78672565
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 9379522
N-ethyl-5-[(2-ethylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104691834
N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 43816194
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
[4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 30931903
2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 112780507
3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 47096301
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
1-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 38656059

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 9379585) is N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCC[C@H]2CCCCN2C)s1.
What is the InChIKey of N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NYLJDJOMQAPFRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4S2/c1-3-13-11-14-15-12(18-11)17-9-7-10-6-4-5-8-16(10)2/h10H,3-9H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 286.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-[(2R)-1-methylpiperidin-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9379585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).