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

C12H14Cl2N4S — CID 102757058

IUPAC3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
SMILESCc1nc(C)c(C(C)Nc2nc(N)c(Cl)cc2Cl)s1
InChIInChI=1S/C12H14Cl2N4S/c1-5-10(19-7(3)16-5)6(2)17-12-9(14)4-8(13)11(15)18-12/h4,6H,1-3H3,(H3,15,17,18)
InChIKeyQZEXBMLWOJAWOX-UHFFFAOYSA-N
MW317.25 g/mol
LogP4.22
Rot. Bonds3

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

3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine (PubChem CID 102757058) has the molecular formula C12H14Cl2N4S and a molecular weight of 317.25 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
PubChem CID102757058
Molecular FormulaC12H14Cl2N4S
Molecular Weight317.25 g/mol
Exact Mass316.03
IUPAC Name3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
SMILESCc1nc(C)c(C(C)Nc2nc(N)c(Cl)cc2Cl)s1
InChIInChI=1S/C12H14Cl2N4S/c1-5-10(19-7(3)16-5)6(2)17-12-9(14)4-8(13)11(15)18-12/h4,6H,1-3H3,(H3,15,17,18)
InChIKeyQZEXBMLWOJAWOX-UHFFFAOYSA-N
XLogP4.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine (CID 102757058) is 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine is Cc1nc(C)c(C(C)Nc2nc(N)c(Cl)cc2Cl)s1.
What is the InChIKey of 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine?
The InChIKey is QZEXBMLWOJAWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4S/c1-5-10(19-7(3)16-5)6(2)17-12-9(14)4-8(13)11(15)18-12/h4,6H,1-3H3,(H3,15,17,18).
What are the key properties of 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine has a molecular weight of 317.25 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 102757058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).