3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine

C8H16N4S — CID 65273090

IUPAC3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCc1nsc(NC(CN)C(C)C)n1
InChIInChI=1S/C8H16N4S/c1-5(2)7(4-9)11-8-10-6(3)12-13-8/h5,7H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyPIDJRYLNDNQSPN-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.24
Rot. Bonds4

About 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine

3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine (PubChem CID 65273090) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
PubChem CID65273090
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCc1nsc(NC(CN)C(C)C)n1
InChIInChI=1S/C8H16N4S/c1-5(2)7(4-9)11-8-10-6(3)12-13-8/h5,7H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyPIDJRYLNDNQSPN-UHFFFAOYSA-N
XLogP1.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine (CID 65273090) is 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine is Cc1nsc(NC(CN)C(C)C)n1.
What is the InChIKey of 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The InChIKey is PIDJRYLNDNQSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-5(2)7(4-9)11-8-10-6(3)12-13-8/h5,7H,4,9H2,1-3H3,(H,10,11,12).
What are the key properties of 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine has a molecular weight of 200.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine is sourced from PubChem (CID 65273090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).