3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C26H31N5O4S — CID 71216557

IUPAC3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C2CN3C(CN4CCNCC4)=CSC3=N2)cc(OC)c1OC
InChIInChI=1S/C26H31N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,16,21,27H,8-11,14-15H2,1-3H3,(H,28,32)
InChIKeyNAZYACSXGWJEJF-UHFFFAOYSA-N
MW509.63 g/mol
LogP3.17
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 71216557) has the molecular formula C26H31N5O4S and a molecular weight of 509.63 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID71216557
Molecular FormulaC26H31N5O4S
Molecular Weight509.63 g/mol
Exact Mass509.21
IUPAC Name3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C2CN3C(CN4CCNCC4)=CSC3=N2)cc(OC)c1OC
InChIInChI=1S/C26H31N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,16,21,27H,8-11,14-15H2,1-3H3,(H,28,32)
InChIKeyNAZYACSXGWJEJF-UHFFFAOYSA-N
XLogP3.17
TPSA87.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 71216557) is 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2C2CN3C(CN4CCNCC4)=CSC3=N2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is NAZYACSXGWJEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,16,21,27H,8-11,14-15H2,1-3H3,(H,28,32).
What are the key properties of 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 509.63 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 71216557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).