2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine

C9H17N3S — CID 105078161

IUPAC2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCCCNC(c1cnns1)C(C)C
InChIInChI=1S/C9H17N3S/c1-4-5-10-9(7(2)3)8-6-11-12-13-8/h6-7,9-10H,4-5H2,1-3H3
InChIKeyPOPGJGKWYLXXAG-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.23
Rot. Bonds5

About 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine

2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine (PubChem CID 105078161) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
PubChem CID105078161
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
SMILESCCCNC(c1cnns1)C(C)C
InChIInChI=1S/C9H17N3S/c1-4-5-10-9(7(2)3)8-6-11-12-13-8/h6-7,9-10H,4-5H2,1-3H3
InChIKeyPOPGJGKWYLXXAG-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine (CID 105078161) is 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine is CCCNC(c1cnns1)C(C)C.
What is the InChIKey of 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
The InChIKey is POPGJGKWYLXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-5-10-9(7(2)3)8-6-11-12-13-8/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine?
2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-(thiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 105078161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).