N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide

C21H14F2N2OS — CID 16910410

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C21H14F2N2OS/c22-17-9-8-15(10-18(17)23)19-12-27-21(24-19)25-20(26)11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,12H,11H2,(H,24,25,26)
InChIKeyVDAHUTHABBZQNZ-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.42
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 16910410) has the molecular formula C21H14F2N2OS and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID16910410
Molecular FormulaC21H14F2N2OS
Molecular Weight380.42 g/mol
Exact Mass380.08
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C21H14F2N2OS/c22-17-9-8-15(10-18(17)23)19-12-27-21(24-19)25-20(26)11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,12H,11H2,(H,24,25,26)
InChIKeyVDAHUTHABBZQNZ-UHFFFAOYSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 4550540
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 2091152
2-(2-fluorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 51532819
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2114071
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26176224
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
2-(3-acetylphenoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2671831
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849309

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide (CID 16910410) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is VDAHUTHABBZQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2OS/c22-17-9-8-15(10-18(17)23)19-12-27-21(24-19)25-20(26)11-14-6-3-5-13-4-1-2-7-16(13)14/h1-10,12H,11H2,(H,24,25,26).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 380.42 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 16910410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).