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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Related Compounds

2-(2-aminoethyl)-N-cyclopentyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631197
N-(cyclopropylmethyl)-2-[(2R)-oxolan-2-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 97078479
N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide
CID 126768034
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709
N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109477905
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119691625
4-[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513919
N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 146084363
N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 71885632
[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methanone
CID 124589824
N-benzyl-N-ethyl-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4584974
2-[(2R)-oxolan-2-yl]-N-[(2R)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718727

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).