N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C19H19F3N2O2S — CID 99716528

IUPACN-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc([C@H]2CCCO2)n1)N(Cc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)14-5-2-1-4-12(14)10-24(13-7-8-13)18(25)15-11-27-17(23-15)16-6-3-9-26-16/h1-2,4-5,11,13,16H,3,6-10H2/t16-/m1/s1
InChIKeyRPNLJEXMCQJELE-MRXNPFEDSA-N
MW396.43 g/mol
LogP4.82
Rot. Bonds5

About N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 99716528) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID99716528
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc([C@H]2CCCO2)n1)N(Cc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C19H19F3N2O2S/c20-19(21,22)14-5-2-1-4-12(14)10-24(13-7-8-13)18(25)15-11-27-17(23-15)16-6-3-9-26-16/h1-2,4-5,11,13,16H,3,6-10H2/t16-/m1/s1
InChIKeyRPNLJEXMCQJELE-MRXNPFEDSA-N
XLogP4.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 99716528) is N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(c1csc([C@H]2CCCO2)n1)N(Cc1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RPNLJEXMCQJELE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c20-19(21,22)14-5-2-1-4-12(14)10-24(13-7-8-13)18(25)15-11-27-17(23-15)16-6-3-9-26-16/h1-2,4-5,11,13,16H,3,6-10H2/t16-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99716528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).