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

C16H18FN3O2S — CID 111462226

IUPAC2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN(CC(O)c1ccc(F)cc1)C1CC1)Nc1nccs1
InChIInChI=1S/C16H18FN3O2S/c17-12-3-1-11(2-4-12)14(21)9-20(13-5-6-13)10-15(22)19-16-18-7-8-23-16/h1-4,7-8,13-14,21H,5-6,9-10H2,(H,18,19,22)
InChIKeyUELKZWAVAXZSNG-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.42
Rot. Bonds7

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

2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 111462226) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID111462226
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN(CC(O)c1ccc(F)cc1)C1CC1)Nc1nccs1
InChIInChI=1S/C16H18FN3O2S/c17-12-3-1-11(2-4-12)14(21)9-20(13-5-6-13)10-15(22)19-16-18-7-8-23-16/h1-4,7-8,13-14,21H,5-6,9-10H2,(H,18,19,22)
InChIKeyUELKZWAVAXZSNG-UHFFFAOYSA-N
XLogP2.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 111432084
ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 47395347
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-piperidin-4-ylamino]acetamide
CID 60800010
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 111753851
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 111432073
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 54774828
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanol
CID 110885670
2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
2-[ethyl(piperidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63636617
(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
CID 94802137
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814271
N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
CID 71999869

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide (CID 111462226) is 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN(CC(O)c1ccc(F)cc1)C1CC1)Nc1nccs1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is UELKZWAVAXZSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-12-3-1-11(2-4-12)14(21)9-20(13-5-6-13)10-15(22)19-16-18-7-8-23-16/h1-4,7-8,13-14,21H,5-6,9-10H2,(H,18,19,22).
What are the key properties of 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 111462226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).