N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine

C7H13N3S — CID 105078379

IUPACN,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCNC(c1cnns1)C(C)C
InChIInChI=1S/C7H13N3S/c1-5(2)7(8-3)6-4-9-10-11-6/h4-5,7-8H,1-3H3
InChIKeyGTBNBOGGYQZFMD-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.45
Rot. Bonds3

About N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine

N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine (PubChem CID 105078379) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine
PubChem CID105078379
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCNC(c1cnns1)C(C)C
InChIInChI=1S/C7H13N3S/c1-5(2)7(8-3)6-4-9-10-11-6/h4-5,7-8H,1-3H3
InChIKeyGTBNBOGGYQZFMD-UHFFFAOYSA-N
XLogP1.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine (CID 105078379) is N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine is CNC(c1cnns1)C(C)C.
What is the InChIKey of N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine?
The InChIKey is GTBNBOGGYQZFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5(2)7(8-3)6-4-9-10-11-6/h4-5,7-8H,1-3H3.
What are the key properties of N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine?
N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine has a molecular weight of 171.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(thiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105078379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).