N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide

C19H16F3N3O2S — CID 25121744

IUPACN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
SMILESO=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-14(10-26)11-28-18/h1-8,11,23,26H,9-10H2,(H,24,25,27)
InChIKeyRLSFSSXSLQYHKJ-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.52
Rot. Bonds6

About N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide

N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide (PubChem CID 25121744) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
PubChem CID25121744
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC NameN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
SMILESO=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-14(10-26)11-28-18/h1-8,11,23,26H,9-10H2,(H,24,25,27)
InChIKeyRLSFSSXSLQYHKJ-UHFFFAOYSA-N
XLogP4.52
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The IUPAC name of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide (CID 25121744) is N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The canonical SMILES for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide is O=C(Nc1nc(CO)cs1)c1ccc(CNc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
The InChIKey is RLSFSSXSLQYHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-14(10-26)11-28-18/h1-8,11,23,26H,9-10H2,(H,24,25,27).
What are the key properties of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide?
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide has a molecular weight of 407.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[[2-(trifluoromethyl)anilino]methyl]benzamide is sourced from PubChem (CID 25121744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).