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

C9H18N4S — CID 65208269

IUPAC4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine
SMILESCc1nnc(NC(CN)CC(C)C)s1
InChIInChI=1S/C9H18N4S/c1-6(2)4-8(5-10)11-9-13-12-7(3)14-9/h6,8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyXGHLXVDBLXVHJM-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.63
Rot. Bonds5

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

4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine (PubChem CID 65208269) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine
PubChem CID65208269
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine
SMILESCc1nnc(NC(CN)CC(C)C)s1
InChIInChI=1S/C9H18N4S/c1-6(2)4-8(5-10)11-9-13-12-7(3)14-9/h6,8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyXGHLXVDBLXVHJM-UHFFFAOYSA-N
XLogP1.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine?
The IUPAC name of 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine (CID 65208269) is 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine is Cc1nnc(NC(CN)CC(C)C)s1.
What is the InChIKey of 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine?
The InChIKey is XGHLXVDBLXVHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-6(2)4-8(5-10)11-9-13-12-7(3)14-9/h6,8H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine?
4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 65208269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).