5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride

C4H10Cl2N4S — CID 50998536

IUPAC5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCC(N)c1nnc(N)s1.Cl.Cl
InChIInChI=1S/C4H8N4S.2ClH/c1-2(5)3-7-8-4(6)9-3;;/h2H,5H2,1H3,(H2,6,8);2*1H
InChIKeyNAHLDPXMIFZSDX-UHFFFAOYSA-N
MW217.12 g/mol
LogP0.98
Rot. Bonds1

About 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride

5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (PubChem CID 50998536) has the molecular formula C4H10Cl2N4S and a molecular weight of 217.12 g/mol. Its IUPAC name is 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
PubChem CID50998536
Molecular FormulaC4H10Cl2N4S
Molecular Weight217.12 g/mol
Exact Mass216.00
IUPAC Name5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCC(N)c1nnc(N)s1.Cl.Cl
InChIInChI=1S/C4H8N4S.2ClH/c1-2(5)3-7-8-4(6)9-3;;/h2H,5H2,1H3,(H2,6,8);2*1H
InChIKeyNAHLDPXMIFZSDX-UHFFFAOYSA-N
XLogP0.98
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Aminoethyl)-1,3,4-thiadiazol-2-amine
CID 11819180
5-(3-Aminopropyl)-1,3,4-thiadiazol-2-amine
CID 10080636
5-(1-Aminoethyl)-1,3,4-thiadiazol-2-amine
CID 46318325
5-(2-Aminoethyl)-1,3,4-thiadiazol-2-amine dihydrochloride
CID 46786002
5-[2-(Chloroamino)ethyl]-1,3,4-thiadiazol-2-amine
CID 118373196
N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine
CID 137472517
5-[(Propan-2-ylamino)methyl]-1,3,4-thiadiazol-2-amine
CID 172205561
5-(Aminomethyl)-1,3,4-thiadiazol-2-amine dihydrochloride
CID 46786001
5-(3-Aminopropyl)-1,3,4-thiadiazol-2-amine dihydrochloride
CID 46786003
5-(1-Amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 51000303
5-[(1S)-1-aminoethyl]-1,3,4-thiadiazol-2-amine
CID 52177471
5-[(1R)-1-aminoethyl]-1,3,4-thiadiazol-2-amine
CID 52177473

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The IUPAC name of 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (CID 50998536) is 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is CC(N)c1nnc(N)s1.Cl.Cl.
What is the InChIKey of 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The InChIKey is NAHLDPXMIFZSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S.2ClH/c1-2(5)3-7-8-4(6)9-3;;/h2H,5H2,1H3,(H2,6,8);2*1H.
What are the key properties of 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride has a molecular weight of 217.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is sourced from PubChem (CID 50998536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).