N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide

C14H13F3N2O3S — CID 99853223

IUPACN-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O3S/c1-8-11(7-23-19-8)13(21)18-6-12(20)9-2-4-10(5-3-9)22-14(15,16)17/h2-5,7,12,20H,6H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyDJABOHMJVWTRQD-LBPRGKRZSA-N
MW346.33 g/mol
LogP2.81
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide

N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 99853223) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID99853223
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O3S/c1-8-11(7-23-19-8)13(21)18-6-12(20)9-2-4-10(5-3-9)22-14(15,16)17/h2-5,7,12,20H,6H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyDJABOHMJVWTRQD-LBPRGKRZSA-N
XLogP2.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate
CID 99837257
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 49089493
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 49089770
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089872
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 47086910
N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 97255935
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 49089748
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 48953077
1-[(2S)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94744564
2-benzyl-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120525121

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 99853223) is N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is DJABOHMJVWTRQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-8-11(7-23-19-8)13(21)18-6-12(20)9-2-4-10(5-3-9)22-14(15,16)17/h2-5,7,12,20H,6H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 99853223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).