N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide

C21H20FN3O3S — CID 55722948

IUPACN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)CCNC(=O)Cc2ccccc2)n1
InChIInChI=1S/C21H20FN3O3S/c1-28-18-8-7-15(22)12-16(18)17-13-29-21(24-17)25-19(26)9-10-23-20(27)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyAOQPOHNKEAKGNY-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.65
Rot. Bonds8

About N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 55722948) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID55722948
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)CCNC(=O)Cc2ccccc2)n1
InChIInChI=1S/C21H20FN3O3S/c1-28-18-8-7-15(22)12-16(18)17-13-29-21(24-17)25-19(26)9-10-23-20(27)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyAOQPOHNKEAKGNY-UHFFFAOYSA-N
XLogP3.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55722660
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 26723709
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26723816
2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55723018
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 78878975
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 30840626
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 78878927

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide (CID 55722948) is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide is COc1ccc(F)cc1-c1csc(NC(=O)CCNC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is AOQPOHNKEAKGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-28-18-8-7-15(22)12-16(18)17-13-29-21(24-17)25-19(26)9-10-23-20(27)11-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide?
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 413.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 55722948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).