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

C6H11N3S — CID 65272740

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCc1nsc(CC(C)N)n1
InChIInChI=1S/C6H11N3S/c1-4(7)3-6-8-5(2)9-10-6/h4H,3,7H2,1-2H3
InChIKeyLKDULBFSEJYGLV-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.74
Rot. Bonds2

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 65272740) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID65272740
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCc1nsc(CC(C)N)n1
InChIInChI=1S/C6H11N3S/c1-4(7)3-6-8-5(2)9-10-6/h4H,3,7H2,1-2H3
InChIKeyLKDULBFSEJYGLV-UHFFFAOYSA-N
XLogP0.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine (CID 65272740) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine is Cc1nsc(CC(C)N)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is LKDULBFSEJYGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4(7)3-6-8-5(2)9-10-6/h4H,3,7H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 157.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 65272740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).