3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C15H14N2OS — CID 83970084

IUPAC3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1ccc(Cc2sc3ncc(C=O)n3c2C)cc1
InChIInChI=1S/C15H14N2OS/c1-10-3-5-12(6-4-10)7-14-11(2)17-13(9-18)8-16-15(17)19-14/h3-6,8-9H,7H2,1-2H3
InChIKeyPYFRSRXCBAFBRN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.42
Rot. Bonds3

About 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 83970084) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID83970084
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1ccc(Cc2sc3ncc(C=O)n3c2C)cc1
InChIInChI=1S/C15H14N2OS/c1-10-3-5-12(6-4-10)7-14-11(2)17-13(9-18)8-16-15(17)19-14/h3-6,8-9H,7H2,1-2H3
InChIKeyPYFRSRXCBAFBRN-UHFFFAOYSA-N
XLogP3.42
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199033
3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199083
2-butyl-3-[(4-methylphenyl)methyl]imidazole-4-carbaldehyde
CID 143948337
3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199074
7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene-11-carbaldehyde
CID 21256485
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 2177042
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
4-[(5-methyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 164574135
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
3-(3,4-dichlorophenyl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1113599
3-benzyl-8-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
CID 53486641
2-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18827616

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 83970084) is 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1ccc(Cc2sc3ncc(C=O)n3c2C)cc1.
What is the InChIKey of 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is PYFRSRXCBAFBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-3-5-12(6-4-10)7-14-11(2)17-13(9-18)8-16-15(17)19-14/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 270.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 83970084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).