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

C25H30N8O4S — CID 87159118

IUPAC2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-piperidin-4-ylbenzamide
SMILESCOc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC4CCNCC4)sc3C2)nc(OC)n1
InChIInChI=1S/C25H30N8O4S/c1-36-21-13-20(30-24(31-21)37-2)33-12-9-18-19(14-33)38-25(29-18)32-23(35)28-17-6-4-3-5-16(17)22(34)27-15-7-10-26-11-8-15/h3-6,13,15,26H,7-12,14H2,1-2H3,(H,27,34)(H2,28,29,32,35)
InChIKeyZITVGNKGGXJGMX-UHFFFAOYSA-N
MW538.63 g/mol
LogP2.64
Rot. Bonds7

About 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

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 (PubChem CID 87159118) has the molecular formula C25H30N8O4S and a molecular weight of 538.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-piperidin-4-ylbenzamide
PubChem CID87159118
Molecular FormulaC25H30N8O4S
Molecular Weight538.63 g/mol
Exact Mass538.21
IUPAC Name2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-piperidin-4-ylbenzamide
SMILESCOc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC4CCNCC4)sc3C2)nc(OC)n1
InChIInChI=1S/C25H30N8O4S/c1-36-21-13-20(30-24(31-21)37-2)33-12-9-18-19(14-33)38-25(29-18)32-23(35)28-17-6-4-3-5-16(17)22(34)27-15-7-10-26-11-8-15/h3-6,13,15,26H,7-12,14H2,1-2H3,(H,27,34)(H2,28,29,32,35)
InChIKeyZITVGNKGGXJGMX-UHFFFAOYSA-N
XLogP2.64
TPSA142.63 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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-(2-isocyanopropan-2-yl)benzamide
CID 87159065
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
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
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-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-methoxyphenyl)urea
CID 58440883
(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-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 87074288
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)NC4CCNCC4)sc3C2)nc(OC)n1.
What is the InChIKey of 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?
The InChIKey is ZITVGNKGGXJGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O4S/c1-36-21-13-20(30-24(31-21)37-2)33-12-9-18-19(14-33)38-25(29-18)32-23(35)28-17-6-4-3-5-16(17)22(34)27-15-7-10-26-11-8-15/h3-6,13,15,26H,7-12,14H2,1-2H3,(H,27,34)(H2,28,29,32,35).
What are the key properties of 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?
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 has a molecular weight of 538.63 g/mol, XLogP of 2.64, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87159118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).