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

C16H17F2N3O2S — CID 110359916

IUPAC3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc(CN2CCOCC2)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O2S/c17-13-2-1-11(7-14(13)18)16(22)19-8-15-20-12(10-24-15)9-21-3-5-23-6-4-21/h1-2,7,10H,3-6,8-9H2,(H,19,22)
InChIKeyRIIZMPQHABSLFG-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.18
Rot. Bonds5

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

3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 110359916) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID110359916
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc(CN2CCOCC2)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O2S/c17-13-2-1-11(7-14(13)18)16(22)19-8-15-20-12(10-24-15)9-21-3-5-23-6-4-21/h1-2,7,10H,3-6,8-9H2,(H,19,22)
InChIKeyRIIZMPQHABSLFG-UHFFFAOYSA-N
XLogP2.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359917
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
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
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110357360
3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445678
4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 30547785
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
3,4-difluoro-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]benzamide
CID 108740915
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 55335910

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 110359916) is 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide is O=C(NCc1nc(CN2CCOCC2)cs1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is RIIZMPQHABSLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c17-13-2-1-11(7-14(13)18)16(22)19-8-15-20-12(10-24-15)9-21-3-5-23-6-4-21/h1-2,7,10H,3-6,8-9H2,(H,19,22).
What are the key properties of 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide?
3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 353.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 110359916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).