2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine

C7H13N3S — CID 130600281

IUPAC2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine
SMILESCc1nnsc1CC(C)CN
InChIInChI=1S/C7H13N3S/c1-5(4-8)3-7-6(2)9-10-11-7/h5H,3-4,8H2,1-2H3
InChIKeyYIBBBOQSEOMJDM-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.98
Rot. Bonds3

About 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine

2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine (PubChem CID 130600281) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine
PubChem CID130600281
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine
SMILESCc1nnsc1CC(C)CN
InChIInChI=1S/C7H13N3S/c1-5(4-8)3-7-6(2)9-10-11-7/h5H,3-4,8H2,1-2H3
InChIKeyYIBBBOQSEOMJDM-UHFFFAOYSA-N
XLogP0.98
TPSA51.80 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine (CID 130600281) is 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine is Cc1nnsc1CC(C)CN.
What is the InChIKey of 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine?
The InChIKey is YIBBBOQSEOMJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5(4-8)3-7-6(2)9-10-11-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine?
2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine has a molecular weight of 171.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylthiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 130600281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).