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

C20H21ClN4OS — CID 90299609

IUPAC5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCOc1nc2c(s1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C20H21ClN4OS/c1-4-26-20-24-16-5-6-25(11-17(16)27-20)18-8-14(15(21)10-22-18)19-13(3)7-12(2)9-23-19/h7-10H,4-6,11H2,1-3H3
InChIKeyPKANSYFXTBAHEA-UHFFFAOYSA-N
MW400.94 g/mol
LogP4.83
Rot. Bonds4

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

5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 90299609) has the molecular formula C20H21ClN4OS and a molecular weight of 400.94 g/mol. Its IUPAC name is 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID90299609
Molecular FormulaC20H21ClN4OS
Molecular Weight400.94 g/mol
Exact Mass400.11
IUPAC Name5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCOc1nc2c(s1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2
InChIInChI=1S/C20H21ClN4OS/c1-4-26-20-24-16-5-6-25(11-17(16)27-20)18-8-14(15(21)10-22-18)19-13(3)7-12(2)9-23-19/h7-10H,4-6,11H2,1-3H3
InChIKeyPKANSYFXTBAHEA-UHFFFAOYSA-N
XLogP4.83
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.94
LogP ≤ 54.83
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-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 90299609) is 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CCOc1nc2c(s1)CN(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-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is PKANSYFXTBAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4OS/c1-4-26-20-24-16-5-6-25(11-17(16)27-20)18-8-14(15(21)10-22-18)19-13(3)7-12(2)9-23-19/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-2-ethoxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 400.94 g/mol, XLogP of 4.83, 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-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 90299609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).