5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H14N6S2 — CID 63736775

IUPAC5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCn2ccc(N)n2)s1
InChIInChI=1S/C9H14N6S2/c1-14(2)8-11-12-9(17-8)16-6-5-15-4-3-7(10)13-15/h3-4H,5-6H2,1-2H3,(H2,10,13)
InChIKeyFSLFTHFVKVNXCZ-UHFFFAOYSA-N
MW270.39 g/mol
LogP1.18
Rot. Bonds5

About 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736775) has the molecular formula C9H14N6S2 and a molecular weight of 270.39 g/mol. Its IUPAC name is 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736775
Molecular FormulaC9H14N6S2
Molecular Weight270.39 g/mol
Exact Mass270.07
IUPAC Name5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCn2ccc(N)n2)s1
InChIInChI=1S/C9H14N6S2/c1-14(2)8-11-12-9(17-8)16-6-5-15-4-3-7(10)13-15/h3-4H,5-6H2,1-2H3,(H2,10,13)
InChIKeyFSLFTHFVKVNXCZ-UHFFFAOYSA-N
XLogP1.18
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]pyrazol-3-amine
CID 63315822
1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrazol-3-amine
CID 113298612
5-[2-(2-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737804
N-(2-aminophenyl)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 63738165
1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine
CID 63315951
5-[2-(4-bromoanilino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737334
5-(5-chloropentylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738508
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-2-ol
CID 79165700
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanimidamide
CID 63738897
1-(2-pyridin-2-ylsulfanylethyl)pyrazol-3-amine
CID 63316039
5-[3-[4-(aminomethyl)phenoxy]propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736966
2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol
CID 63316468

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736775) is 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCn2ccc(N)n2)s1.
What is the InChIKey of 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FSLFTHFVKVNXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S2/c1-14(2)8-11-12-9(17-8)16-6-5-15-4-3-7(10)13-15/h3-4H,5-6H2,1-2H3,(H2,10,13).
What are the key properties of 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 270.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).