1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

C14H18ClN3S — CID 79426512

IUPAC1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C14H18ClN3S/c1-2-18(9-11-3-5-17-6-4-11)13(8-16)14-7-12(15)10-19-14/h3-7,10,13H,2,8-9,16H2,1H3
InChIKeyHNKVBQMNGUVJKV-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.32
Rot. Bonds6

About 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 79426512) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
PubChem CID79426512
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1ccncc1)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C14H18ClN3S/c1-2-18(9-11-3-5-17-6-4-11)13(8-16)14-7-12(15)10-19-14/h3-7,10,13H,2,8-9,16H2,1H3
InChIKeyHNKVBQMNGUVJKV-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 106817330
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
N-ethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450546
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
2-N-ethyl-3,3,3-trifluoro-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 54947943
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60790409
1-(4-chlorothiophen-2-yl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 79428051
1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 79426613
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 79427830
1-(4-chlorothiophen-2-yl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 79427389

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine (CID 79426512) is 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is CCN(Cc1ccncc1)C(CN)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is HNKVBQMNGUVJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-2-18(9-11-3-5-17-6-4-11)13(8-16)14-7-12(15)10-19-14/h3-7,10,13H,2,8-9,16H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 295.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79426512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).