1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea

C20H27N7O5S — CID 58441151

IUPAC1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
SMILESCOc1cc(N2CCc3nc(NC(=O)NCCC(=O)N4CCOCC4)sc3C2)nc(OC)n1
InChIInChI=1S/C20H27N7O5S/c1-30-16-11-15(23-19(24-16)31-2)27-6-4-13-14(12-27)33-20(22-13)25-18(29)21-5-3-17(28)26-7-9-32-10-8-26/h11H,3-10,12H2,1-2H3,(H2,21,22,25,29)
InChIKeyXOHFQLSWKJMKFC-UHFFFAOYSA-N
MW477.55 g/mol
LogP0.88
Rot. Bonds7

About 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea

1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea (PubChem CID 58441151) has the molecular formula C20H27N7O5S and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea.

Molecular Properties

Compound Name1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
PubChem CID58441151
Molecular FormulaC20H27N7O5S
Molecular Weight477.55 g/mol
Exact Mass477.18
IUPAC Name1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
SMILESCOc1cc(N2CCc3nc(NC(=O)NCCC(=O)N4CCOCC4)sc3C2)nc(OC)n1
InChIInChI=1S/C20H27N7O5S/c1-30-16-11-15(23-19(24-16)31-2)27-6-4-13-14(12-27)33-20(22-13)25-18(29)21-5-3-17(28)26-7-9-32-10-8-26/h11H,3-10,12H2,1-2H3,(H2,21,22,25,29)
InChIKeyXOHFQLSWKJMKFC-UHFFFAOYSA-N
XLogP0.88
TPSA131.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea with MolForge

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Related Compounds

1-cyclohexyl-3-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 58440875
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-methoxyphenyl)urea
CID 58440883
1-(2-acetylphenyl)-3-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 87159321
(2R)-N-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-hydroxy-2-phenylacetamide
CID 58441018
2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(oxan-3-yl)benzamide
CID 87159341
3-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide
CID 87159095
N-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 58441012
2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87159278
2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-piperidin-4-ylbenzamide
CID 87159118
4-[2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]phenoxy]-2,2-dimethylbutanoic acid
CID 87159317
1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 58440784
2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(2-isocyanopropan-2-yl)benzamide
CID 87159065

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The IUPAC name of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea (CID 58441151) is 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea.
What is the SMILES notation for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The canonical SMILES for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea is COc1cc(N2CCc3nc(NC(=O)NCCC(=O)N4CCOCC4)sc3C2)nc(OC)n1.
What is the InChIKey of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea?
The InChIKey is XOHFQLSWKJMKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O5S/c1-30-16-11-15(23-19(24-16)31-2)27-6-4-13-14(12-27)33-20(22-13)25-18(29)21-5-3-17(28)26-7-9-32-10-8-26/h11H,3-10,12H2,1-2H3,(H2,21,22,25,29).
What are the key properties of 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea?
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea has a molecular weight of 477.55 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea is sourced from PubChem (CID 58441151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).