N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide

C21H16FN3OS — CID 3983544

IUPACN-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C21H16FN3OS/c22-16-10-8-14(9-11-16)12-23-20(26)19-13-27-21(25-19)24-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13H,12H2,(H,23,26)(H,24,25)
InChIKeyPZPSOBOEHCKVAB-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.11
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 3983544) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID3983544
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C21H16FN3OS/c22-16-10-8-14(9-11-16)12-23-20(26)19-13-27-21(25-19)24-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13H,12H2,(H,23,26)(H,24,25)
InChIKeyPZPSOBOEHCKVAB-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-[2-(2,4-dichlorophenyl)ethyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 5205911
2-[(2,4-dichlorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46114059
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109211474
N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506073
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide
CID 30941352
2-[[(2-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1199592
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide (CID 3983544) is N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1csc(Nc2cccc3ccccc23)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is PZPSOBOEHCKVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c22-16-10-8-14(9-11-16)12-23-20(26)19-13-27-21(25-19)24-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13H,12H2,(H,23,26)(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3983544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).