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

C13H24N4S — CID 65273754

IUPACN'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCCc1nsc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C13H24N4S/c1-3-6-12-15-13(18-16-12)14-9-10-17(2)11-7-4-5-8-11/h11H,3-10H2,1-2H3,(H,14,15,16)
InChIKeyNNWADGOXWWMIKL-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.78
Rot. Bonds7

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

N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65273754) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65273754
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCCc1nsc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C13H24N4S/c1-3-6-12-15-13(18-16-12)14-9-10-17(2)11-7-4-5-8-11/h11H,3-10H2,1-2H3,(H,14,15,16)
InChIKeyNNWADGOXWWMIKL-UHFFFAOYSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 103739545
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 65270947
N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276420
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80954913
N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106177679
N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114123761
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
N-[2-(4-chlorophenyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65277040
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65273754) is N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CCCc1nsc(NCCN(C)C2CCCC2)n1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is NNWADGOXWWMIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-3-6-12-15-13(18-16-12)14-9-10-17(2)11-7-4-5-8-11/h11H,3-10H2,1-2H3,(H,14,15,16).
What are the key properties of N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65273754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).