3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine

C12H14Cl2N4S — CID 106013087

IUPAC3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
SMILESCCc1ccc(CNc2nc(NN)c(Cl)cc2Cl)s1
InChIInChI=1S/C12H14Cl2N4S/c1-2-7-3-4-8(19-7)6-16-11-9(13)5-10(14)12(17-11)18-15/h3-5H,2,6,15H2,1H3,(H2,16,17,18)
InChIKeyVMEWJOPDTAQALK-UHFFFAOYSA-N
MW317.25 g/mol
LogP3.91
Rot. Bonds5

About 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine

3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine (PubChem CID 106013087) has the molecular formula C12H14Cl2N4S and a molecular weight of 317.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
PubChem CID106013087
Molecular FormulaC12H14Cl2N4S
Molecular Weight317.25 g/mol
Exact Mass316.03
IUPAC Name3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
SMILESCCc1ccc(CNc2nc(NN)c(Cl)cc2Cl)s1
InChIInChI=1S/C12H14Cl2N4S/c1-2-7-3-4-8(19-7)6-16-11-9(13)5-10(14)12(17-11)18-15/h3-5H,2,6,15H2,1H3,(H2,16,17,18)
InChIKeyVMEWJOPDTAQALK-UHFFFAOYSA-N
XLogP3.91
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine
CID 106901036
3-chloro-2-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 106007348
3,5-dichloro-2-N-ethyl-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
CID 102757761
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102758506
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102758505
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114136292
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106014067
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65467227
N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 102762401

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine (CID 106013087) is 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine is CCc1ccc(CNc2nc(NN)c(Cl)cc2Cl)s1.
What is the InChIKey of 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine?
The InChIKey is VMEWJOPDTAQALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4S/c1-2-7-3-4-8(19-7)6-16-11-9(13)5-10(14)12(17-11)18-15/h3-5H,2,6,15H2,1H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine?
3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine has a molecular weight of 317.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine is sourced from PubChem (CID 106013087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).