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

C9H16N4S — CID 65268016

IUPACN'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(N(CCCN)C2CC2)n1
InChIInChI=1S/C9H16N4S/c1-7-11-9(14-12-7)13(6-2-5-10)8-3-4-8/h8H,2-6,10H2,1H3
InChIKeyVJDVZCLVTXOJCS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.16
Rot. Bonds5

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

N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65268016) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65268016
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(N(CCCN)C2CC2)n1
InChIInChI=1S/C9H16N4S/c1-7-11-9(14-12-7)13(6-2-5-10)8-3-4-8/h8H,2-6,10H2,1H3
InChIKeyVJDVZCLVTXOJCS-UHFFFAOYSA-N
XLogP1.16
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 102874524
N-(2-bromoethyl)-N-cyclopropyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 80666803
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine
CID 65270547
N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102874488
N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273343
N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 65209033
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785297
N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 55174769
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277332
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
1-N,4-N-dimethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
CID 79111027

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65268016) is N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is Cc1nsc(N(CCCN)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is VJDVZCLVTXOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-11-9(14-12-7)13(6-2-5-10)8-3-4-8/h8H,2-6,10H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65268016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).