[4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone

C17H20N4O2S — CID 75381123

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone
SMILESC=CCNc1ncc(C(=O)N2CCN(c3ccccc3O)CC2)s1
InChIInChI=1S/C17H20N4O2S/c1-2-7-18-17-19-12-15(24-17)16(23)21-10-8-20(9-11-21)13-5-3-4-6-14(13)22/h2-6,12,22H,1,7-11H2,(H,18,19)
InChIKeyVVEUWFCVGPUGDT-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.41
Rot. Bonds5

About [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 75381123) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone
PubChem CID75381123
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone
SMILESC=CCNc1ncc(C(=O)N2CCN(c3ccccc3O)CC2)s1
InChIInChI=1S/C17H20N4O2S/c1-2-7-18-17-19-12-15(24-17)16(23)21-10-8-20(9-11-21)13-5-3-4-6-14(13)22/h2-6,12,22H,1,7-11H2,(H,18,19)
InChIKeyVVEUWFCVGPUGDT-UHFFFAOYSA-N
XLogP2.41
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone (CID 75381123) is [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone is C=CCNc1ncc(C(=O)N2CCN(c3ccccc3O)CC2)s1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is VVEUWFCVGPUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-7-18-17-19-12-15(24-17)16(23)21-10-8-20(9-11-21)13-5-3-4-6-14(13)22/h2-6,12,22H,1,7-11H2,(H,18,19).
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 344.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 75381123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).