(2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate

C15H15NO2S — CID 86844927

IUPAC(2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate
SMILESCC1CC1COC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H15NO2S/c1-10-7-12(10)9-18-15(17)13-8-16-14(19-13)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9H2,1H3
InChIKeyCAXQYAJDEQZBFF-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.62
Rot. Bonds4

About (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate

(2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 86844927) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID86844927
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate
SMILESCC1CC1COC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H15NO2S/c1-10-7-12(10)9-18-15(17)13-8-16-14(19-13)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9H2,1H3
InChIKeyCAXQYAJDEQZBFF-UHFFFAOYSA-N
XLogP3.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-1,3-thiazole-5-carboxylic acid
CID 139087
1-(2-Phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 608996
Ethyl 2-phenylthiazole-5-carboxylate
CID 9899456
2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 43333581
2-Phenyl-1,3-thiazole-5-carbaldehyde
CID 2763706
2-Pyridin-4-YL-thiazole-5-carboxylic acid ethyl ester
CID 53403818
2-(2-Fluorophenyl)-5-thiazolecarboxylic acid
CID 18535345
Methyl 2-benzyl-1,3-thiazole-5-carboxylate
CID 57362708
Ethyl 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 13010150
[(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate
CID 97259083
2-(4-Trifluoromethylphenyl)thiazole-5-carboxylic acid methyl ester
CID 57362702
2-(4-Trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester
CID 21051249

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate (CID 86844927) is (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate is CC1CC1COC(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is CAXQYAJDEQZBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-7-12(10)9-18-15(17)13-8-16-14(19-13)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9H2,1H3.
What are the key properties of (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate?
(2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 273.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)methyl 2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86844927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).