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

C9H18N4S — CID 65273220

IUPACN'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(N(CCN)CC(C)C)n1
InChIInChI=1S/C9H18N4S/c1-7(2)6-13(5-4-10)9-11-8(3)12-14-9/h7H,4-6,10H2,1-3H3
InChIKeyLIMJJEJSXPWVFB-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.27
Rot. Bonds5

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

N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65273220) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65273220
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC NameN'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(N(CCN)CC(C)C)n1
InChIInChI=1S/C9H18N4S/c1-7(2)6-13(5-4-10)9-11-8(3)12-14-9/h7H,4-6,10H2,1-3H3
InChIKeyLIMJJEJSXPWVFB-UHFFFAOYSA-N
XLogP1.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-aminoethyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273343
N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107494081
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanethioamide
CID 65271838
N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 65273171
3-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanenitrile
CID 65272434
N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65268016
N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 102874524
N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine
CID 65270336
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
CID 65270154
N-[(4-aminophenyl)methyl]-N-ethyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273266
N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 133430234
N'-(2-methylpropyl)-N'-quinoxalin-2-ylethane-1,2-diamine
CID 62585650

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65273220) is N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is Cc1nsc(N(CCN)CC(C)C)n1.
What is the InChIKey of N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is LIMJJEJSXPWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-7(2)6-13(5-4-10)9-11-8(3)12-14-9/h7H,4-6,10H2,1-3H3.
What are the key properties of N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(2-methylpropyl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.27, 5 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)ethane-1,2-diamine is sourced from PubChem (CID 65273220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).