methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate

C9H9F3N2O2S — CID 106218832

IUPACmethyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H9F3N2O2S/c1-16-6(15)5-4-17-7(13-5)14-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H,13,14)
InChIKeyZXDKVUTVFGTEIZ-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.44
Rot. Bonds3

About methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate

methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 106218832) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID106218832
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Namemethyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H9F3N2O2S/c1-16-6(15)5-4-17-7(13-5)14-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H,13,14)
InChIKeyZXDKVUTVFGTEIZ-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-chloro-6-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylate
CID 115422959
methyl 2-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 103466455
methyl 2-(3,5-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423273
methyl 2-(prop-2-enoylamino)-1,3-thiazole-4-carboxylate
CID 153387484
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
methyl 2-(2,6-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 113306686
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylate
CID 116700994
methyl 2-(1,3-thiazol-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115423892
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
methyl 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 113306641
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
methyl 2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 113306936

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate (CID 106218832) is methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ZXDKVUTVFGTEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-16-6(15)5-4-17-7(13-5)14-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H,13,14).
What are the key properties of methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 266.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106218832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).