2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide

C14H13F3N2O3S — CID 124740802

IUPAC2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](O)c1ncc(C(=O)NCc2ccccc2OC(F)(F)F)s1
InChIInChI=1S/C14H13F3N2O3S/c1-8(20)13-19-7-11(23-13)12(21)18-6-9-4-2-3-5-10(9)22-14(15,16)17/h2-5,7-8,20H,6H2,1H3,(H,18,21)/t8-/m1/s1
InChIKeyVDCAGJWHEYUJMZ-MRVPVSSYSA-N
MW346.33 g/mol
LogP3.03
Rot. Bonds5

About 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 124740802) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID124740802
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC Name2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](O)c1ncc(C(=O)NCc2ccccc2OC(F)(F)F)s1
InChIInChI=1S/C14H13F3N2O3S/c1-8(20)13-19-7-11(23-13)12(21)18-6-9-4-2-3-5-10(9)22-14(15,16)17/h2-5,7-8,20H,6H2,1H3,(H,18,21)/t8-/m1/s1
InChIKeyVDCAGJWHEYUJMZ-MRVPVSSYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 38750833
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24743255
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 45487831
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 124740802) is 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide is C[C@@H](O)c1ncc(C(=O)NCc2ccccc2OC(F)(F)F)s1.
What is the InChIKey of 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VDCAGJWHEYUJMZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-8(20)13-19-7-11(23-13)12(21)18-6-9-4-2-3-5-10(9)22-14(15,16)17/h2-5,7-8,20H,6H2,1H3,(H,18,21)/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124740802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).