1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine

C13H16ClN3S — CID 55013227

IUPAC1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cscn1)C(CN)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3S/c1-17(7-10-8-18-9-16-10)13(6-15)11-4-2-3-5-12(11)14/h2-5,8-9,13H,6-7,15H2,1H3
InChIKeyQNISLNGXWZGTBN-UHFFFAOYSA-N
MW281.81 g/mol
LogP2.93
Rot. Bonds5

About 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine

1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 55013227) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID55013227
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cscn1)C(CN)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3S/c1-17(7-10-8-18-9-16-10)13(6-15)11-4-2-3-5-12(11)14/h2-5,8-9,13H,6-7,15H2,1H3
InChIKeyQNISLNGXWZGTBN-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 65021970
1-(4-bromothiophen-2-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013909
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 63649441
1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564737
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471932
(1R)-2-methoxy-N-methyl-1-pyridin-2-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 124751761
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
CID 107198381
2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103958767
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine
CID 55013958

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine (CID 55013227) is 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine is CN(Cc1cscn1)C(CN)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is QNISLNGXWZGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-17(7-10-8-18-9-16-10)13(6-15)11-4-2-3-5-12(11)14/h2-5,8-9,13H,6-7,15H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 281.81 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55013227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).