methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate

C8H8ClF3N2O2S — CID 60890468

IUPACmethyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)CC(F)(F)F)nc1Cl
InChIInChI=1S/C8H8ClF3N2O2S/c1-14(3-8(10,11)12)7-13-5(9)4(17-7)6(15)16-2/h3H2,1-2H3
InChIKeyVCPIWRZZKIABII-UHFFFAOYSA-N
MW288.68 g/mol
LogP2.58
Rot. Bonds3

About methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 60890468) has the molecular formula C8H8ClF3N2O2S and a molecular weight of 288.68 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID60890468
Molecular FormulaC8H8ClF3N2O2S
Molecular Weight288.68 g/mol
Exact Mass287.99
IUPAC Namemethyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)CC(F)(F)F)nc1Cl
InChIInChI=1S/C8H8ClF3N2O2S/c1-14(3-8(10,11)12)7-13-5(9)4(17-7)6(15)16-2/h3H2,1-2H3
InChIKeyVCPIWRZZKIABII-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate (CID 60890468) is methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)CC(F)(F)F)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is VCPIWRZZKIABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2S/c1-14(3-8(10,11)12)7-13-5(9)4(17-7)6(15)16-2/h3H2,1-2H3.
What are the key properties of methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 288.68 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60890468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).