7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine

C18H14ClN5S — CID 16661050

IUPAC7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
SMILESCc1cc(Nc2ncc(-c3ccnc(Cl)c3)c3sc(C)nc23)ccn1
InChIInChI=1S/C18H14ClN5S/c1-10-7-13(4-6-20-10)24-18-16-17(25-11(2)23-16)14(9-22-18)12-3-5-21-15(19)8-12/h3-9H,1-2H3,(H,20,22,24)
InChIKeyDGJIXERNUPKULF-UHFFFAOYSA-N
MW367.87 g/mol
LogP5.16
Rot. Bonds3

About 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine

7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine (PubChem CID 16661050) has the molecular formula C18H14ClN5S and a molecular weight of 367.87 g/mol. Its IUPAC name is 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
PubChem CID16661050
Molecular FormulaC18H14ClN5S
Molecular Weight367.87 g/mol
Exact Mass367.07
IUPAC Name7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine
SMILESCc1cc(Nc2ncc(-c3ccnc(Cl)c3)c3sc(C)nc23)ccn1
InChIInChI=1S/C18H14ClN5S/c1-10-7-13(4-6-20-10)24-18-16-17(25-11(2)23-16)14(9-22-18)12-3-5-21-15(19)8-12/h3-9H,1-2H3,(H,20,22,24)
InChIKeyDGJIXERNUPKULF-UHFFFAOYSA-N
XLogP5.16
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.87
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine (CID 16661050) is 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine is Cc1cc(Nc2ncc(-c3ccnc(Cl)c3)c3sc(C)nc23)ccn1.
What is the InChIKey of 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
The InChIKey is DGJIXERNUPKULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5S/c1-10-7-13(4-6-20-10)24-18-16-17(25-11(2)23-16)14(9-22-18)12-3-5-21-15(19)8-12/h3-9H,1-2H3,(H,20,22,24).
What are the key properties of 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine?
7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine has a molecular weight of 367.87 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-pyridinyl)-2-methyl-N-(2-methyl-4-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 16661050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).