5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine

C7H14N4S — CID 134249501

IUPAC5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C(N)C(C)C)s1
InChIInChI=1S/C7H14N4S/c1-4(2)5(8)6-10-11-7(9-3)12-6/h4-5H,8H2,1-3H3,(H,9,11)
InChIKeyMBOOSBLNWVKZDE-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.24
Rot. Bonds3

About 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 134249501) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID134249501
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C(N)C(C)C)s1
InChIInChI=1S/C7H14N4S/c1-4(2)5(8)6-10-11-7(9-3)12-6/h4-5H,8H2,1-3H3,(H,9,11)
InChIKeyMBOOSBLNWVKZDE-UHFFFAOYSA-N
XLogP1.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 134249501) is 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(C(N)C(C)C)s1.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MBOOSBLNWVKZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-4(2)5(8)6-10-11-7(9-3)12-6/h4-5H,8H2,1-3H3,(H,9,11).
What are the key properties of 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 186.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 134249501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).