cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate

C16H14F3NO2S — CID 159585997

IUPACcyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
SMILESCc1nc(C(=O)OCC2CC2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C16H14F3NO2S/c1-9-20-13(15(21)22-8-10-5-6-10)14(23-9)11-3-2-4-12(7-11)16(17,18)19/h2-4,7,10H,5-6,8H2,1H3
InChIKeyDFYDCNUPDKBCHM-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.70
Rot. Bonds4

About cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate

cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate (PubChem CID 159585997) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
PubChem CID159585997
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Namecyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
SMILESCc1nc(C(=O)OCC2CC2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C16H14F3NO2S/c1-9-20-13(15(21)22-8-10-5-6-10)14(23-9)11-3-2-4-12(7-11)16(17,18)19/h2-4,7,10H,5-6,8H2,1H3
InChIKeyDFYDCNUPDKBCHM-UHFFFAOYSA-N
XLogP4.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide
CID 158828775
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67446495
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 68724103
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate;methyl 2-[(2,6-difluorobenzoyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159602800
ethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133062647
4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine
CID 144632491
[(2S)-2-(4-methylsulfanyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanone
CID 72694787
[(1S,2S,5R)-2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanone
CID 68634995
2-pyridazin-4-yl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 175845866

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate (CID 159585997) is cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate is Cc1nc(C(=O)OCC2CC2)c(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The InChIKey is DFYDCNUPDKBCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c1-9-20-13(15(21)22-8-10-5-6-10)14(23-9)11-3-2-4-12(7-11)16(17,18)19/h2-4,7,10H,5-6,8H2,1H3.
What are the key properties of cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate has a molecular weight of 341.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 159585997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).