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

C16H11ClFN3OS — CID 914283

IUPAC[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
SMILESNc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21)
InChIKeyWWGPTHOMFHDEEC-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.49
Rot. Bonds4

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

[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone (PubChem CID 914283) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
PubChem CID914283
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC Name[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone
SMILESNc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21)
InChIKeyWWGPTHOMFHDEEC-UHFFFAOYSA-N
XLogP4.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone (CID 914283) is [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone is Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccc(F)cc1.
What is the InChIKey of [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is WWGPTHOMFHDEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21).
What are the key properties of [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone?
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 347.80 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 914283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).