N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide

C20H16FN5OS — CID 73168646

IUPACN-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C20H16FN5OS/c21-16-7-1-2-8-17(16)24-20-25-18(13-28-20)14-5-3-6-15(11-14)23-19(27)12-26-10-4-9-22-26/h1-11,13H,12H2,(H,23,27)(H,24,25)
InChIKeyCKURYPVLUDVICX-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.53
Rot. Bonds6

About N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide

N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide (PubChem CID 73168646) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide
PubChem CID73168646
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC NameN-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C20H16FN5OS/c21-16-7-1-2-8-17(16)24-20-25-18(13-28-20)14-5-3-6-15(11-14)23-19(27)12-26-10-4-9-22-26/h1-11,13H,12H2,(H,23,27)(H,24,25)
InChIKeyCKURYPVLUDVICX-UHFFFAOYSA-N
XLogP4.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1h-Indazol-1-Yl)-N-[2-(Piperazin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 59332218
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3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
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N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332354
(2S)-3-phenyl-N-[3-(1H-pyrazol-4-yl)phenyl]-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67495836
(2S)-N-(3-(1H-pyrazol-3-yl)phenyl)-3-phenyl-2-(thiazol-4-ylmethylamino)propanamide
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(2S)-N-[3-(1-methylpyrazol-4-yl)phenyl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
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N-[5-[3-(5-fluoro-3-pyridinyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 156760471
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1006911
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
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(E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide (CID 73168646) is N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1.
What is the InChIKey of N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide?
The InChIKey is CKURYPVLUDVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c21-16-7-1-2-8-17(16)24-20-25-18(13-28-20)14-5-3-6-15(11-14)23-19(27)12-26-10-4-9-22-26/h1-11,13H,12H2,(H,23,27)(H,24,25).
What are the key properties of N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide?
N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide has a molecular weight of 393.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 73168646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).