1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane

C24H26N6O3S — CID 158186659

IUPAC1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane
SMILESC.Cc1nc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CC(CC(=O)c4ccoc4)C3)c2s1
InChIInChI=1S/C23H22N6O3S.CH4/c1-13(16-4-3-6-24-9-16)25-23-27-19(20-21(28-23)26-14(2)33-20)22(31)29-10-15(11-29)8-18(30)17-5-7-32-12-17;/h3-7,9,12-13,15H,8,10-11H2,1-2H3,(H,25,27,28);1H4/t13-;/m0./s1
InChIKeyFZFIQVMAKYNEBE-ZOWNYOTGSA-N
MW478.58 g/mol
LogP4.54
Rot. Bonds7

About 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane

1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane (PubChem CID 158186659) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane.

Molecular Properties

Compound Name1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane
PubChem CID158186659
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane
SMILESC.Cc1nc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CC(CC(=O)c4ccoc4)C3)c2s1
InChIInChI=1S/C23H22N6O3S.CH4/c1-13(16-4-3-6-24-9-16)25-23-27-19(20-21(28-23)26-14(2)33-20)22(31)29-10-15(11-29)8-18(30)17-5-7-32-12-17;/h3-7,9,12-13,15H,8,10-11H2,1-2H3,(H,25,27,28);1H4/t13-;/m0./s1
InChIKeyFZFIQVMAKYNEBE-ZOWNYOTGSA-N
XLogP4.54
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane?
The IUPAC name of 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane (CID 158186659) is 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane.
What is the SMILES notation for 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane?
The canonical SMILES for 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane is C.Cc1nc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CC(CC(=O)c4ccoc4)C3)c2s1.
What is the InChIKey of 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane?
The InChIKey is FZFIQVMAKYNEBE-ZOWNYOTGSA-N. The full InChI is InChI=1S/C23H22N6O3S.CH4/c1-13(16-4-3-6-24-9-16)25-23-27-19(20-21(28-23)26-14(2)33-20)22(31)29-10-15(11-29)8-18(30)17-5-7-32-12-17;/h3-7,9,12-13,15H,8,10-11H2,1-2H3,(H,25,27,28);1H4/t13-;/m0./s1.
What are the key properties of 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane?
1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane has a molecular weight of 478.58 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-[1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]ethanone;methane is sourced from PubChem (CID 158186659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).