2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one

C20H18N2OS — CID 14200915

IUPAC2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one
SMILESCc1ccc(-c2nc3n(c2-c2ccc(C)cc2)C(=O)C(C)S3)cc1
InChIInChI=1S/C20H18N2OS/c1-12-4-8-15(9-5-12)17-18(16-10-6-13(2)7-11-16)22-19(23)14(3)24-20(22)21-17/h4-11,14H,1-3H3
InChIKeyKKXXYFUKNILVOK-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.97
Rot. Bonds2

About 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one

2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 14200915) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID14200915
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one
SMILESCc1ccc(-c2nc3n(c2-c2ccc(C)cc2)C(=O)C(C)S3)cc1
InChIInChI=1S/C20H18N2OS/c1-12-4-8-15(9-5-12)17-18(16-10-6-13(2)7-11-16)22-19(23)14(3)24-20(22)21-17/h4-11,14H,1-3H3
InChIKeyKKXXYFUKNILVOK-UHFFFAOYSA-N
XLogP4.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-bis(4-fluorophenyl)-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
CID 11267866
(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 947701
2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
CID 3472388
3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione
CID 67088861
(9Z)-4,5,14,15-tetrakis(4-methylphenyl)-3,6,13,16-tetrazatricyclo[11.3.0.02,6]hexadeca-1(16),2,4,9,14-pentaene
CID 122388803
17,18-bis(4-methylphenyl)-16,19-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
CID 102131833
2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 56737882
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403971
7-methoxy-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 126475212
(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 10421066
2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione
CID 14006296
5-methyl-2-(4-methylphenyl)-7H-[1,3]thiazolo[4,5-b][1,4]thiazin-6-one
CID 86101521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one (CID 14200915) is 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one is Cc1ccc(-c2nc3n(c2-c2ccc(C)cc2)C(=O)C(C)S3)cc1.
What is the InChIKey of 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is KKXXYFUKNILVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-12-4-8-15(9-5-12)17-18(16-10-6-13(2)7-11-16)22-19(23)14(3)24-20(22)21-17/h4-11,14H,1-3H3.
What are the key properties of 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one?
2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 334.44 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 14200915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).