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

C6H14Cl2N4S — CID 71299318

IUPAC5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCC(C)C(N)c1nnc(N)s1.Cl.Cl
InChIInChI=1S/C6H12N4S.2ClH/c1-3(2)4(7)5-9-10-6(8)11-5;;/h3-4H,7H2,1-2H3,(H2,8,10);2*1H
InChIKeyHMSCBBLJSOVFOA-UHFFFAOYSA-N
MW245.18 g/mol
LogP1.62
Rot. Bonds2

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

5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (PubChem CID 71299318) has the molecular formula C6H14Cl2N4S and a molecular weight of 245.18 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
PubChem CID71299318
Molecular FormulaC6H14Cl2N4S
Molecular Weight245.18 g/mol
Exact Mass244.03
IUPAC Name5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCC(C)C(N)c1nnc(N)s1.Cl.Cl
InChIInChI=1S/C6H12N4S.2ClH/c1-3(2)4(7)5-9-10-6(8)11-5;;/h3-4H,7H2,1-2H3,(H2,8,10);2*1H
InChIKeyHMSCBBLJSOVFOA-UHFFFAOYSA-N
XLogP1.62
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-(Propan-2-ylamino)butan-2-yl]-1,3,4-thiadiazol-2-amine
CID 68831045
5-[1-(3-Methylbutylamino)ethyl]-1,3,4-thiadiazol-2-amine
CID 68834934
5-(2-Amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine
CID 129317777
5-[(2R)-2-amino-3-methylbutyl]-1,3,4-thiadiazol-2-amine
CID 132586873
5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 134249500
5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 134249501
5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 134256914
5-[(2S)-2-amino-3-methylbutyl]-1,3,4-thiadiazol-2-amine
CID 138708544
5-(3-Aminopropyl)-1,3,4-thiadiazol-2-amine dihydrochloride
CID 46786003

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The IUPAC name of 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (CID 71299318) is 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is CC(C)C(N)c1nnc(N)s1.Cl.Cl.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The InChIKey is HMSCBBLJSOVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S.2ClH/c1-3(2)4(7)5-9-10-6(8)11-5;;/h3-4H,7H2,1-2H3,(H2,8,10);2*1H.
What are the key properties of 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride has a molecular weight of 245.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is sourced from PubChem (CID 71299318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).