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

C16H16F3N3O2S — CID 110359917

IUPAC2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc(CN2CCOCC2)cs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H16F3N3O2S/c17-12-2-1-11(14(18)15(12)19)16(23)20-7-13-21-10(9-25-13)8-22-3-5-24-6-4-22/h1-2,9H,3-8H2,(H,20,23)
InChIKeyNHCBPMAOKDWPNK-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.32
Rot. Bonds5

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

2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 110359917) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID110359917
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC Name2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc(CN2CCOCC2)cs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H16F3N3O2S/c17-12-2-1-11(14(18)15(12)19)16(23)20-7-13-21-10(9-25-13)8-22-3-5-24-6-4-22/h1-2,9H,3-8H2,(H,20,23)
InChIKeyNHCBPMAOKDWPNK-UHFFFAOYSA-N
XLogP2.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359916
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110357360
2-cyclopentyl-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110355326
2-(2-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110359915
2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445750
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea
CID 110368636
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
CID 94649834

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 110359917) is 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide is O=C(NCc1nc(CN2CCOCC2)cs1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is NHCBPMAOKDWPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-12-2-1-11(14(18)15(12)19)16(23)20-7-13-21-10(9-25-13)8-22-3-5-24-6-4-22/h1-2,9H,3-8H2,(H,20,23).
What are the key properties of 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide?
2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 371.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110359917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).