1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one

C19H18ClF2N3O3S — CID 159620923

IUPAC1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
SMILESCOC(C)c1c(CC(=O)Cc2cnc(OC(F)F)c(Cl)c2)cnc2sc(C)nc12
InChIInChI=1S/C19H18ClF2N3O3S/c1-9(27-3)15-12(8-24-18-16(15)25-10(2)29-18)6-13(26)4-11-5-14(20)17(23-7-11)28-19(21)22/h5,7-9,19H,4,6H2,1-3H3
InChIKeyMNWKRLZLFPPMPG-UHFFFAOYSA-N
MW441.89 g/mol
LogP4.71
Rot. Bonds8

About 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one

1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one (PubChem CID 159620923) has the molecular formula C19H18ClF2N3O3S and a molecular weight of 441.89 g/mol. Its IUPAC name is 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
PubChem CID159620923
Molecular FormulaC19H18ClF2N3O3S
Molecular Weight441.89 g/mol
Exact Mass441.07
IUPAC Name1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
SMILESCOC(C)c1c(CC(=O)Cc2cnc(OC(F)F)c(Cl)c2)cnc2sc(C)nc12
InChIInChI=1S/C19H18ClF2N3O3S/c1-9(27-3)15-12(8-24-18-16(15)25-10(2)29-18)6-13(26)4-11-5-14(20)17(23-7-11)28-19(21)22/h5,7-9,19H,4,6H2,1-3H3
InChIKeyMNWKRLZLFPPMPG-UHFFFAOYSA-N
XLogP4.71
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?
The IUPAC name of 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one (CID 159620923) is 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one.
What is the SMILES notation for 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?
The canonical SMILES for 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one is COC(C)c1c(CC(=O)Cc2cnc(OC(F)F)c(Cl)c2)cnc2sc(C)nc12.
What is the InChIKey of 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?
The InChIKey is MNWKRLZLFPPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O3S/c1-9(27-3)15-12(8-24-18-16(15)25-10(2)29-18)6-13(26)4-11-5-14(20)17(23-7-11)28-19(21)22/h5,7-9,19H,4,6H2,1-3H3.
What are the key properties of 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?
1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one has a molecular weight of 441.89 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(difluoromethoxy)-3-pyridinyl]-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one is sourced from PubChem (CID 159620923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).