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

C29H29N5OS — CID 71217870

IUPAC2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C1CN2C(CN3CCNCC3)=CSC2=N1)c1ccccc1-c1ccccc1
InChIInChI=1S/C29H29N5OS/c35-28(24-11-5-4-10-23(24)21-8-2-1-3-9-21)31-26-13-7-6-12-25(26)27-19-34-22(20-36-29(34)32-27)18-33-16-14-30-15-17-33/h1-13,20,27,30H,14-19H2,(H,31,35)
InChIKeyQFFVXLKPCDYSPO-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.81
Rot. Bonds6

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

2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 71217870) has the molecular formula C29H29N5OS and a molecular weight of 495.65 g/mol. Its IUPAC name is 2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID71217870
Molecular FormulaC29H29N5OS
Molecular Weight495.65 g/mol
Exact Mass495.21
IUPAC Name2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C1CN2C(CN3CCNCC3)=CSC2=N1)c1ccccc1-c1ccccc1
InChIInChI=1S/C29H29N5OS/c35-28(24-11-5-4-10-23(24)21-8-2-1-3-9-21)31-26-13-7-6-12-25(26)27-19-34-22(20-36-29(34)32-27)18-33-16-14-30-15-17-33/h1-13,20,27,30H,14-19H2,(H,31,35)
InChIKeyQFFVXLKPCDYSPO-UHFFFAOYSA-N
XLogP4.81
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
3,4-dimethoxy-N-[2-[3-(morpholin-4-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 71216505
N-[2-[6-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]phenyl]quinoxaline-2-carboxamide
CID 70875029
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
N-[2-[3-[2-(dimethylamino)ethoxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
CID 71216554
3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 82509723
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680148
4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680302
azulene-1-carbohydrazide
CID 45118106
bis(2-benzamidobenzoic acid);piperazine
CID 3045073

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 71217870) is 2-phenyl-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 2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is O=C(Nc1ccccc1C1CN2C(CN3CCNCC3)=CSC2=N1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is QFFVXLKPCDYSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5OS/c35-28(24-11-5-4-10-23(24)21-8-2-1-3-9-21)31-26-13-7-6-12-25(26)27-19-34-22(20-36-29(34)32-27)18-33-16-14-30-15-17-33/h1-13,20,27,30H,14-19H2,(H,31,35).
What are the key properties of 2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 495.65 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[3-(piperazin-1-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 71217870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).