[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone

C17H14FN3O2S — CID 949998

IUPAC[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(Nc3ccccc3F)nc2N)cc1
InChIInChI=1S/C17H14FN3O2S/c1-23-11-8-6-10(7-9-11)14(22)15-16(19)21-17(24-15)20-13-5-3-2-4-12(13)18/h2-9H,19H2,1H3,(H,20,21)
InChIKeyUZCXGIBFDYIYKW-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.85
Rot. Bonds5

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

[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 949998) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
PubChem CID949998
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(Nc3ccccc3F)nc2N)cc1
InChIInChI=1S/C17H14FN3O2S/c1-23-11-8-6-10(7-9-11)14(22)15-16(19)21-17(24-15)20-13-5-3-2-4-12(13)18/h2-9H,19H2,1H3,(H,20,21)
InChIKeyUZCXGIBFDYIYKW-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

(4-Amino-2-((4-methoxyphenyl)amino)-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399618
(4-Amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399616
[4-Amino-2-[[4-[4-(1-methylethyl)-1-piperazinyl]phenyl]amino]-5-thiazolyl](3-methoxyphenyl)methanone
CID 9933545
(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-fluorophenyl)methanone
CID 1512476
4-{[4-Amino-5-(3-Methoxybenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 73350412
5-LOX inhibitor 2m [PMID: 30199704]
CID 134813912
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone
CID 44250180
A1AR antagonist 3
CID 129834603
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
4-Amino-5-benzoyl-2-(4-methoxyphenylamino)thiazole
CID 398017
[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone
CID 399617

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone (CID 949998) is [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc(Nc3ccccc3F)nc2N)cc1.
What is the InChIKey of [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is UZCXGIBFDYIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-23-11-8-6-10(7-9-11)14(22)15-16(19)21-17(24-15)20-13-5-3-2-4-12(13)18/h2-9H,19H2,1H3,(H,20,21).
What are the key properties of [4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
[4-amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)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-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 949998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).