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

C6H11N3S — CID 86674740

IUPAC2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCc1nsc(C(C)(C)N)n1
InChIInChI=1S/C6H11N3S/c1-4-8-5(10-9-4)6(2,3)7/h7H2,1-3H3
InChIKeyWLSVBJBZKCPURW-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.04
Rot. Bonds1

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

2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 86674740) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID86674740
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCc1nsc(C(C)(C)N)n1
InChIInChI=1S/C6H11N3S/c1-4-8-5(10-9-4)6(2,3)7/h7H2,1-3H3
InChIKeyWLSVBJBZKCPURW-UHFFFAOYSA-N
XLogP1.04
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine (CID 86674740) is 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine is Cc1nsc(C(C)(C)N)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is WLSVBJBZKCPURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4-8-5(10-9-4)6(2,3)7/h7H2,1-3H3.
What are the key properties of 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 157.24 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 86674740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).