6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C26H32N4O2S — CID 44589376

IUPAC6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(C3CN4C=CSC4=N3)cc2)CC1
InChIInChI=1S/C26H32N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,17,19,23H,4-5,12-16,18,20H2,1H3
InChIKeyPTUNPPZTSHFJHC-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.61
Rot. Bonds9

About 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 44589376) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID44589376
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(C3CN4C=CSC4=N3)cc2)CC1
InChIInChI=1S/C26H32N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,17,19,23H,4-5,12-16,18,20H2,1H3
InChIKeyPTUNPPZTSHFJHC-UHFFFAOYSA-N
XLogP4.61
TPSA40.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxy-1-[3-(2-morpholin-4-ylethyl)-2-(phenylazamethylene)(1,3-thiazolin-4-y l)]benzene
CID 4109003
4-methoxy-N-[(2Z)-4-(4-methoxyphenyl)-3-[2-(morpholin-4-yl)ethyl]-1,3-thiazol-2(3H)-ylidene]aniline
CID 4268777
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
CID 6529977
(Z)-N-(4-(4-methoxyphenyl)-3-morpholinothiazol-2(3H)-ylidene)aniline
CID 7294982
6-[4-[4-[4-(2-(111C)methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 450911
3-cyclopentyl-N-(2-ethoxyphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 3658107
N-[(2Z)-4-(4-fluorophenyl)-3-[2-(morpholin-4-yl)ethyl]-1,3-thiazol-2(3H)-ylidene]-4-methoxyaniline
CID 3800122
4-ethoxy-N-[(2Z)-4-(4-fluorophenyl)-3-[3-(morpholin-4-yl)propyl]-1,3-thiazol-2(3H)-ylidene]aniline
CID 3824828
N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18813051
(Z)-N-(4-(4-methoxyphenyl)-3-((tetrahydrofuran-2-yl)methyl)thiazol-2(3H)-ylidene)aniline
CID 3787860
N,4-bis(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 16806071
(E)-N-(4-(4-ethoxyphenyl)-3-(2-morpholinoethyl)thiazol-2(3H)-ylidene)aniline hydrobromide
CID 16806844

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 44589376) is 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is COc1ccccc1N1CCN(CCCCOc2ccc(C3CN4C=CSC4=N3)cc2)CC1.
What is the InChIKey of 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is PTUNPPZTSHFJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-31-25-7-3-2-6-24(25)29-15-13-28(14-16-29)12-4-5-18-32-22-10-8-21(9-11-22)23-20-30-17-19-33-26(30)27-23/h2-3,6-11,17,19,23H,4-5,12-16,18,20H2,1H3.
What are the key properties of 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 464.64 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 44589376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).