[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone

C21H21N3O2S — CID 91231217

IUPAC[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone
SMILESNc1nc(N(c2ccccc2)c2ccc(O)cc2)sc1C(=O)C1CCCC1
InChIInChI=1S/C21H21N3O2S/c22-20-19(18(26)14-6-4-5-7-14)27-21(23-20)24(15-8-2-1-3-9-15)16-10-12-17(25)13-11-16/h1-3,8-14,25H,4-7,22H2
InChIKeyFHBMZWNYIYFCKL-UHFFFAOYSA-N
MW379.49 g/mol
LogP5.27
Rot. Bonds5

About [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone

[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone (PubChem CID 91231217) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone
PubChem CID91231217
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone
SMILESNc1nc(N(c2ccccc2)c2ccc(O)cc2)sc1C(=O)C1CCCC1
InChIInChI=1S/C21H21N3O2S/c22-20-19(18(26)14-6-4-5-7-14)27-21(23-20)24(15-8-2-1-3-9-15)16-10-12-17(25)13-11-16/h1-3,8-14,25H,4-7,22H2
InChIKeyFHBMZWNYIYFCKL-UHFFFAOYSA-N
XLogP5.27
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone?
The IUPAC name of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone (CID 91231217) is [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone?
The canonical SMILES for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone is Nc1nc(N(c2ccccc2)c2ccc(O)cc2)sc1C(=O)C1CCCC1.
What is the InChIKey of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone?
The InChIKey is FHBMZWNYIYFCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c22-20-19(18(26)14-6-4-5-7-14)27-21(23-20)24(15-8-2-1-3-9-15)16-10-12-17(25)13-11-16/h1-3,8-14,25H,4-7,22H2.
What are the key properties of [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone?
[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone has a molecular weight of 379.49 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-cyclopentylmethanone is sourced from PubChem (CID 91231217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).