3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine

C12H13Cl2N3S — CID 102756938

IUPAC3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine
SMILESCc1ccc(C(C)Nc2nc(N)c(Cl)cc2Cl)s1
InChIInChI=1S/C12H13Cl2N3S/c1-6-3-4-10(18-6)7(2)16-12-9(14)5-8(13)11(15)17-12/h3-5,7H,1-2H3,(H3,15,16,17)
InChIKeyNNVGLSIGBXWBIW-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.51
Rot. Bonds3

About 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine (PubChem CID 102756938) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine
PubChem CID102756938
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine
SMILESCc1ccc(C(C)Nc2nc(N)c(Cl)cc2Cl)s1
InChIInChI=1S/C12H13Cl2N3S/c1-6-3-4-10(18-6)7(2)16-12-9(14)5-8(13)11(15)17-12/h3-5,7H,1-2H3,(H3,15,16,17)
InChIKeyNNVGLSIGBXWBIW-UHFFFAOYSA-N
XLogP4.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine (CID 102756938) is 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine is Cc1ccc(C(C)Nc2nc(N)c(Cl)cc2Cl)s1.
What is the InChIKey of 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine?
The InChIKey is NNVGLSIGBXWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c1-6-3-4-10(18-6)7(2)16-12-9(14)5-8(13)11(15)17-12/h3-5,7H,1-2H3,(H3,15,16,17).
What are the key properties of 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine has a molecular weight of 302.23 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 102756938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).