N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride

C4H8ClN3S — CID 175212002

IUPACN,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCNc1nnc(C)s1.Cl
InChIInChI=1S/C4H7N3S.ClH/c1-3-6-7-4(5-2)8-3;/h1-2H3,(H,5,7);1H
InChIKeyVOHHULFIGRRLRA-UHFFFAOYSA-N
MW165.65 g/mol
LogP1.31
Rot. Bonds1

About N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride

N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 175212002) has the molecular formula C4H8ClN3S and a molecular weight of 165.65 g/mol. Its IUPAC name is N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID175212002
Molecular FormulaC4H8ClN3S
Molecular Weight165.65 g/mol
Exact Mass165.01
IUPAC NameN,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCNc1nnc(C)s1.Cl
InChIInChI=1S/C4H7N3S.ClH/c1-3-6-7-4(5-2)8-3;/h1-2H3,(H,5,7);1H
InChIKeyVOHHULFIGRRLRA-UHFFFAOYSA-N
XLogP1.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.65
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride (CID 175212002) is N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride is CNc1nnc(C)s1.Cl.
What is the InChIKey of N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is VOHHULFIGRRLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.ClH/c1-3-6-7-4(5-2)8-3;/h1-2H3,(H,5,7);1H.
What are the key properties of N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride?
N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 165.65 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 175212002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).