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

C7H13N3S — CID 23111159

IUPAC2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine
SMILESCc1nnsc1CC(C)(C)N
InChIInChI=1S/C7H13N3S/c1-5-6(11-10-9-5)4-7(2,3)8/h4,8H2,1-3H3
InChIKeyMHXXTVVEKNCJBY-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.13
Rot. Bonds2

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

2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine (PubChem CID 23111159) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine
PubChem CID23111159
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine
SMILESCc1nnsc1CC(C)(C)N
InChIInChI=1S/C7H13N3S/c1-5-6(11-10-9-5)4-7(2,3)8/h4,8H2,1-3H3
InChIKeyMHXXTVVEKNCJBY-UHFFFAOYSA-N
XLogP1.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine (CID 23111159) is 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine is Cc1nnsc1CC(C)(C)N.
What is the InChIKey of 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine?
The InChIKey is MHXXTVVEKNCJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5-6(11-10-9-5)4-7(2,3)8/h4,8H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine?
2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 23111159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).