N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C10H20N4S — CID 65267550

IUPACN'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(N(CCCN)CC(C)C)n1
InChIInChI=1S/C10H20N4S/c1-8(2)7-14(6-4-5-11)10-12-9(3)13-15-10/h8H,4-7,11H2,1-3H3
InChIKeyDOCIBBMGTXKYLB-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.66
Rot. Bonds6

About N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65267550) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65267550
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(N(CCCN)CC(C)C)n1
InChIInChI=1S/C10H20N4S/c1-8(2)7-14(6-4-5-11)10-12-9(3)13-15-10/h8H,4-7,11H2,1-3H3
InChIKeyDOCIBBMGTXKYLB-UHFFFAOYSA-N
XLogP1.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65267550) is N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is Cc1nsc(N(CCCN)CC(C)C)n1.
What is the InChIKey of N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is DOCIBBMGTXKYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-8(2)7-14(6-4-5-11)10-12-9(3)13-15-10/h8H,4-7,11H2,1-3H3.
What are the key properties of N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65267550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).