[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone

C17H14FN3O2S — CID 50761488

IUPAC[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
SMILESCOc1cccc(Nc2nc(N)c(C(=O)c3ccccc3F)s2)c1
InChIInChI=1S/C17H14FN3O2S/c1-23-11-6-4-5-10(9-11)20-17-21-16(19)15(24-17)14(22)12-7-2-3-8-13(12)18/h2-9H,19H2,1H3,(H,20,21)
InChIKeyBYACTSAAKTUPLU-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.85
Rot. Bonds5

About [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone

[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone (PubChem CID 50761488) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
PubChem CID50761488
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
SMILESCOc1cccc(Nc2nc(N)c(C(=O)c3ccccc3F)s2)c1
InChIInChI=1S/C17H14FN3O2S/c1-23-11-6-4-5-10(9-11)20-17-21-16(19)15(24-17)14(22)12-7-2-3-8-13(12)18/h2-9H,19H2,1H3,(H,20,21)
InChIKeyBYACTSAAKTUPLU-UHFFFAOYSA-N
XLogP3.85
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzoate
CID 20590571
tert-butyl 3-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzoate
CID 21307328
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
[4-amino-2-(3,5-dimethylanilino)-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
CID 46285711
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
[4-amino-2-(4-methoxy-2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 167436494
[4-amino-2-(3-bromoanilino)-1,3-thiazol-5-yl]-(2,4-dimethylphenyl)methanone
CID 46285782
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
CID 46285896
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone (CID 50761488) is [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone is COc1cccc(Nc2nc(N)c(C(=O)c3ccccc3F)s2)c1.
What is the InChIKey of [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The InChIKey is BYACTSAAKTUPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-23-11-6-4-5-10(9-11)20-17-21-16(19)15(24-17)14(22)12-7-2-3-8-13(12)18/h2-9H,19H2,1H3,(H,20,21).
What are the key properties of [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone has a molecular weight of 343.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 50761488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).