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

C26H27N5O3S — CID 59679890

IUPAC3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCNCC4)cnc3s2)c1
InChIInChI=1S/C26H27N5O3S/c1-33-19-12-18(13-20(14-19)34-2)24(32)29-22-6-4-3-5-21(22)25-30-23-11-17(15-28-26(23)35-25)16-31-9-7-27-8-10-31/h3-6,11-15,27H,7-10,16H2,1-2H3,(H,29,32)
InChIKeyCYUWHKNIMSLYKN-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.03
Rot. Bonds7

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

3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide (PubChem CID 59679890) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
PubChem CID59679890
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCNCC4)cnc3s2)c1
InChIInChI=1S/C26H27N5O3S/c1-33-19-12-18(13-20(14-19)34-2)24(32)29-22-6-4-3-5-21(22)25-30-23-11-17(15-28-26(23)35-25)16-31-9-7-27-8-10-31/h3-6,11-15,27H,7-10,16H2,1-2H3,(H,29,32)
InChIKeyCYUWHKNIMSLYKN-UHFFFAOYSA-N
XLogP4.03
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide (CID 59679890) is 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCNCC4)cnc3s2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?
The InChIKey is CYUWHKNIMSLYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-33-19-12-18(13-20(14-19)34-2)24(32)29-22-6-4-3-5-21(22)25-30-23-11-17(15-28-26(23)35-25)16-31-9-7-27-8-10-31/h3-6,11-15,27H,7-10,16H2,1-2H3,(H,29,32).
What are the key properties of 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide?
3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide has a molecular weight of 489.60 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 59679890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).