N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

C17H21FN2OS — CID 110648392

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1csc(CCC(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C17H21FN2OS/c1-12(2)15-11-22-17(20-15)8-7-16(21)19-10-9-13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)
InChIKeyZFVXVMKWIXZSDV-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.70
Rot. Bonds7

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

N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110648392) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110648392
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1csc(CCC(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C17H21FN2OS/c1-12(2)15-11-22-17(20-15)8-7-16(21)19-10-9-13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,19,21)
InChIKeyZFVXVMKWIXZSDV-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649255
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 131951418
3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 110440180
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
CID 109024697
N-(4-chlorophenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110650032
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 110648392) is N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1csc(CCC(=O)NCCc2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZFVXVMKWIXZSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-12(2)15-11-22-17(20-15)8-7-16(21)19-10-9-13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110648392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).