4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

C11H8NO2S- — CID 4319506

IUPAC4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)[O-]
InChIInChI=1S/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)/p-1
InChIKeyCRSMRBYEBHOYRM-UHFFFAOYSA-M
MW218.26 g/mol
LogP1.48
Rot. Bonds2

About 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 4319506) has the molecular formula C11H8NO2S- and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID4319506
Molecular FormulaC11H8NO2S-
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)sc1C(=O)[O-]
InChIInChI=1S/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)/p-1
InChIKeyCRSMRBYEBHOYRM-UHFFFAOYSA-M
XLogP1.48
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
CID 59280512
3-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 172677917
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
4-methyl-2-[4-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7895985
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
4-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71488056
4-methyl-2-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 78837201
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745349

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate (CID 4319506) is 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)sc1C(=O)[O-].
What is the InChIKey of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is CRSMRBYEBHOYRM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)/p-1.
What are the key properties of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate?
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 218.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4319506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).