3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide

C25H21N5O2S — CID 59680410

IUPAC3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCOCC4)cnc3s2)c1
InChIInChI=1S/C25H21N5O2S/c26-14-17-4-3-5-19(12-17)23(31)28-21-7-2-1-6-20(21)24-29-22-13-18(15-27-25(22)33-24)16-30-8-10-32-11-9-30/h1-7,12-13,15H,8-11,16H2,(H,28,31)
InChIKeyZRVCUVKYEHBYRR-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.31
Rot. Bonds5

About 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide

3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide (PubChem CID 59680410) has the molecular formula C25H21N5O2S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
PubChem CID59680410
Molecular FormulaC25H21N5O2S
Molecular Weight455.54 g/mol
Exact Mass455.14
IUPAC Name3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCOCC4)cnc3s2)c1
InChIInChI=1S/C25H21N5O2S/c26-14-17-4-3-5-19(12-17)23(31)28-21-7-2-1-6-20(21)24-29-22-13-18(15-27-25(22)33-24)16-30-8-10-32-11-9-30/h1-7,12-13,15H,8-11,16H2,(H,28,31)
InChIKeyZRVCUVKYEHBYRR-UHFFFAOYSA-N
XLogP4.31
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-pyridin-2-ylbenzamide
CID 25144870
3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 59679890
2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide
CID 53475732
6-(3-chloro-5-isocyanophenyl)-N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide
CID 140828757
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
3-ethoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740861
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362455
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
3-cyano-N-[2-methyl-3-(piperazin-1-ylmethyl)phenyl]benzamide
CID 126712015
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
3-cyano-N-(2-iodophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide (CID 59680410) is 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCOCC4)cnc3s2)c1.
What is the InChIKey of 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?
The InChIKey is ZRVCUVKYEHBYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S/c26-14-17-4-3-5-19(12-17)23(31)28-21-7-2-1-6-20(21)24-29-22-13-18(15-27-25(22)33-24)16-30-8-10-32-11-9-30/h1-7,12-13,15H,8-11,16H2,(H,28,31).
What are the key properties of 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?
3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide has a molecular weight of 455.54 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 59680410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).