N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C10H17ClN4S — CID 63316884

IUPACN-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nsnc1Cl)C1CCCC1
InChIInChI=1S/C10H17ClN4S/c1-15(8-4-2-3-5-8)7-6-12-10-9(11)13-16-14-10/h8H,2-7H2,1H3,(H,12,14)
InChIKeyYXUMONNKCIODJR-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.48
Rot. Bonds5

About N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 63316884) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID63316884
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC NameN-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nsnc1Cl)C1CCCC1
InChIInChI=1S/C10H17ClN4S/c1-15(8-4-2-3-5-8)7-6-12-10-9(11)13-16-14-10/h8H,2-7H2,1H3,(H,12,14)
InChIKeyYXUMONNKCIODJR-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 63316884) is N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNc1nsnc1Cl)C1CCCC1.
What is the InChIKey of N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is YXUMONNKCIODJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-15(8-4-2-3-5-8)7-6-12-10-9(11)13-16-14-10/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 260.79 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63316884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).