3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine

C13H16Cl2N4S — CID 102758195

IUPAC3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
SMILESCCNc1nc(NCCc2nc(C)cs2)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N4S/c1-3-16-12-9(14)6-10(15)13(19-12)17-5-4-11-18-8(2)7-20-11/h6-7H,3-5H2,1-2H3,(H2,16,17,19)
InChIKeyUQJWWFKYXSBUDG-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.24
Rot. Bonds6

About 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine (PubChem CID 102758195) has the molecular formula C13H16Cl2N4S and a molecular weight of 331.27 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
PubChem CID102758195
Molecular FormulaC13H16Cl2N4S
Molecular Weight331.27 g/mol
Exact Mass330.05
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
SMILESCCNc1nc(NCCc2nc(C)cs2)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N4S/c1-3-16-12-9(14)6-10(15)13(19-12)17-5-4-11-18-8(2)7-20-11/h6-7H,3-5H2,1-2H3,(H2,16,17,19)
InChIKeyUQJWWFKYXSBUDG-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79632210
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828020
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79728660
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
3-chloro-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 94280499
5-chloro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82122899
2-tert-butyl-6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80971390
2,4,6-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82121506
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62866188

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine (CID 102758195) is 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine is CCNc1nc(NCCc2nc(C)cs2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine?
The InChIKey is UQJWWFKYXSBUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4S/c1-3-16-12-9(14)6-10(15)13(19-12)17-5-4-11-18-8(2)7-20-11/h6-7H,3-5H2,1-2H3,(H2,16,17,19).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine has a molecular weight of 331.27 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 102758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).