N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C13H16ClN3S — CID 171384518

IUPACN'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(c1ccccn1)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3S/c1-16(2)9-10-17(12-5-3-4-8-15-12)13-7-6-11(14)18-13/h3-8H,9-10H2,1-2H3
InChIKeySDQAHGGWXOBUDY-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.50
Rot. Bonds5

About N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 171384518) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID171384518
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC NameN'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(c1ccccn1)c1ccc(Cl)s1
InChIInChI=1S/C13H16ClN3S/c1-16(2)9-10-17(12-5-3-4-8-15-12)13-7-6-11(14)18-13/h3-8H,9-10H2,1-2H3
InChIKeySDQAHGGWXOBUDY-UHFFFAOYSA-N
XLogP3.50
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 171384518) is N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is CN(C)CCN(c1ccccn1)c1ccc(Cl)s1.
What is the InChIKey of N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is SDQAHGGWXOBUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-16(2)9-10-17(12-5-3-4-8-15-12)13-7-6-11(14)18-13/h3-8H,9-10H2,1-2H3.
What are the key properties of N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 281.81 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chlorothiophen-2-yl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 171384518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).