N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide

C17H18FN3O2S — CID 110625112

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)cs1)NCC(=O)NC1CC1
InChIInChI=1S/C17H18FN3O2S/c18-12-3-1-11(2-4-12)14-10-24-17(21-14)8-7-15(22)19-9-16(23)20-13-5-6-13/h1-4,10,13H,5-9H2,(H,19,22)(H,20,23)
InChIKeySSJIJFFJXAIURX-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.28
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 110625112) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID110625112
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)cs1)NCC(=O)NC1CC1
InChIInChI=1S/C17H18FN3O2S/c18-12-3-1-11(2-4-12)14-10-24-17(21-14)8-7-15(22)19-9-16(23)20-13-5-6-13/h1-4,10,13H,5-9H2,(H,19,22)(H,20,23)
InChIKeySSJIJFFJXAIURX-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
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3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[2-(methylsulfamoyl)ethyl]propanamide
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methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
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N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
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1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
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N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
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N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
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4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
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2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide (CID 110625112) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1nc(-c2ccc(F)cc2)cs1)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SSJIJFFJXAIURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-12-3-1-11(2-4-12)14-10-24-17(21-14)8-7-15(22)19-9-16(23)20-13-5-6-13/h1-4,10,13H,5-9H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 110625112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).