N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C17H20FN3O2S — CID 111382367

IUPACN-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CNCC(O)c2ccccc2F)cs1)C1CC1
InChIInChI=1S/C17H20FN3O2S/c1-11(22)21(13-6-7-13)17-20-12(10-24-17)8-19-9-16(23)14-4-2-3-5-15(14)18/h2-5,10,13,16,19,23H,6-9H2,1H3
InChIKeyPCFITRPFYMXWGQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.62
Rot. Bonds7

About N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 111382367) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID111382367
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CNCC(O)c2ccccc2F)cs1)C1CC1
InChIInChI=1S/C17H20FN3O2S/c1-11(22)21(13-6-7-13)17-20-12(10-24-17)8-19-9-16(23)14-4-2-3-5-15(14)18/h2-5,10,13,16,19,23H,6-9H2,1H3
InChIKeyPCFITRPFYMXWGQ-UHFFFAOYSA-N
XLogP2.62
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Hydroxy-2-phenylethyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45826210
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45828517
1-[2-(2,4-Difluorophenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45828542
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45828550
1-[2-Hydroxy-2-(4-methylphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 45830909
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 45830912
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 45830913
1-(2-Hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47239173
1-[2-(2,4-Difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 53498422
1-[2-Hydroxy-2-(4-methylphenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 53504024
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448741
1-[2-(2,4-Difluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 45828543

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 111382367) is N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CNCC(O)c2ccccc2F)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PCFITRPFYMXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-11(22)21(13-6-7-13)17-20-12(10-24-17)8-19-9-16(23)14-4-2-3-5-15(14)18/h2-5,10,13,16,19,23H,6-9H2,1H3.
What are the key properties of N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 111382367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).