4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole

C15H14N2S2 — CID 9422762

IUPAC4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole
SMILESCc1csc(Cc2nc(C)c(-c3ccccc3)s2)n1
InChIInChI=1S/C15H14N2S2/c1-10-9-18-13(16-10)8-14-17-11(2)15(19-14)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyKCZOAGBNDKWCGU-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.47
Rot. Bonds3

About 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole (PubChem CID 9422762) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole
PubChem CID9422762
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole
SMILESCc1csc(Cc2nc(C)c(-c3ccccc3)s2)n1
InChIInChI=1S/C15H14N2S2/c1-10-9-18-13(16-10)8-14-17-11(2)15(19-14)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyKCZOAGBNDKWCGU-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
2-(chloromethyl)-4-methyl-5-phenyl-1,3-thiazole
CID 114987484
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 62795474
ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate
CID 71580227
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114994384
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
4-(1H-indol-3-yl)-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole
CID 9422833
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole
CID 138979346

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole (CID 9422762) is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole is Cc1csc(Cc2nc(C)c(-c3ccccc3)s2)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole?
The InChIKey is KCZOAGBNDKWCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-10-9-18-13(16-10)8-14-17-11(2)15(19-14)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole?
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole has a molecular weight of 286.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 9422762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).