5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C20H19ClN4O2S — CID 73438458

IUPAC5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCCOc1nc2c(s1)C(=O)N(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C20H19ClN4O2S/c1-4-27-20-24-15-5-6-25(19(26)18(15)28-20)16-8-13(14(21)10-22-16)17-12(3)7-11(2)9-23-17/h7-10H,4-6H2,1-3H3
InChIKeyWGTJCQPGJLHIIG-UHFFFAOYSA-N
MW414.92 g/mol
LogP4.47
Rot. Bonds4

About 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 73438458) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID73438458
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCCOc1nc2c(s1)C(=O)N(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C20H19ClN4O2S/c1-4-27-20-24-15-5-6-25(19(26)18(15)28-20)16-8-13(14(21)10-22-16)17-12(3)7-11(2)9-23-17/h7-10H,4-6H2,1-3H3
InChIKeyWGTJCQPGJLHIIG-UHFFFAOYSA-N
XLogP4.47
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 73438458) is 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CCOc1nc2c(s1)C(=O)N(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2.
What is the InChIKey of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is WGTJCQPGJLHIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-4-27-20-24-15-5-6-25(19(26)18(15)28-20)16-8-13(14(21)10-22-16)17-12(3)7-11(2)9-23-17/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 414.92 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 73438458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).