[4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone

C17H12F3N3OS — CID 71662064

IUPAC[4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-8-12(9-7-11)22-16-23-15(21)14(25-16)13(24)10-4-2-1-3-5-10/h1-9H,21H2,(H,22,23)
InChIKeyUGWSXXUCHWBRTD-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.72
Rot. Bonds4

About [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone

[4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 71662064) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID71662064
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name[4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone
SMILESNc1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-8-12(9-7-11)22-16-23-15(21)14(25-16)13(24)10-4-2-1-3-5-10/h1-9H,21H2,(H,22,23)
InChIKeyUGWSXXUCHWBRTD-UHFFFAOYSA-N
XLogP4.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone (CID 71662064) is [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone is Nc1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccccc1.
What is the InChIKey of [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is UGWSXXUCHWBRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-8-12(9-7-11)22-16-23-15(21)14(25-16)13(24)10-4-2-1-3-5-10/h1-9H,21H2,(H,22,23).
What are the key properties of [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 363.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 71662064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).