2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C13H11F3N2O2S — CID 86786064

IUPAC2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2cc(F)c(F)c(O)c2F)n1
InChIInChI=1S/C13H11F3N2O2S/c1-6-5-21-9(17-6)4-18(2)13(20)7-3-8(14)11(16)12(19)10(7)15/h3,5,19H,4H2,1-2H3
InChIKeyJOJVHVPDKJCPLX-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.85
Rot. Bonds3

About 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 86786064) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID86786064
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2cc(F)c(F)c(O)c2F)n1
InChIInChI=1S/C13H11F3N2O2S/c1-6-5-21-9(17-6)4-18(2)13(20)7-3-8(14)11(16)12(19)10(7)15/h3,5,19H,4H2,1-2H3
InChIKeyJOJVHVPDKJCPLX-UHFFFAOYSA-N
XLogP2.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86783345
2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid
CID 59570177
2,4,5-trifluoro-3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512254
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 86789873
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68608744
2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670318
methyl 3-(difluoromethyl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate
CID 59570127
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238520
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
2-(2-fluorophenoxy)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 71980223
methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate
CID 59569902
2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 1196047

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 86786064) is 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CN(C)C(=O)c2cc(F)c(F)c(O)c2F)n1.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is JOJVHVPDKJCPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-6-5-21-9(17-6)4-18(2)13(20)7-3-8(14)11(16)12(19)10(7)15/h3,5,19H,4H2,1-2H3.
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 316.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 86786064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).