[4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate

C19H23FN4O4S — CID 89160465

IUPAC[4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(F)cc1/C=C1\SC(N2CCN(CCO)CC2)=NC1=O
InChIInChI=1S/C19H23FN4O4S/c1-22(2)19(27)28-15-4-3-14(20)11-13(15)12-16-17(26)21-18(29-16)24-7-5-23(6-8-24)9-10-25/h3-4,11-12,25H,5-10H2,1-2H3/b16-12-
InChIKeyXZABOLDWEZHRCP-VBKFSLOCSA-N
MW422.48 g/mol
LogP1.47
Rot. Bonds4

About [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate

[4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate (PubChem CID 89160465) has the molecular formula C19H23FN4O4S and a molecular weight of 422.48 g/mol. Its IUPAC name is [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate
PubChem CID89160465
Molecular FormulaC19H23FN4O4S
Molecular Weight422.48 g/mol
Exact Mass422.14
IUPAC Name[4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(F)cc1/C=C1\SC(N2CCN(CCO)CC2)=NC1=O
InChIInChI=1S/C19H23FN4O4S/c1-22(2)19(27)28-15-4-3-14(20)11-13(15)12-16-17(26)21-18(29-16)24-7-5-23(6-8-24)9-10-25/h3-4,11-12,25H,5-10H2,1-2H3/b16-12-
InChIKeyXZABOLDWEZHRCP-VBKFSLOCSA-N
XLogP1.47
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate (CID 89160465) is [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(F)cc1/C=C1\SC(N2CCN(CCO)CC2)=NC1=O.
What is the InChIKey of [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is XZABOLDWEZHRCP-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H23FN4O4S/c1-22(2)19(27)28-15-4-3-14(20)11-13(15)12-16-17(26)21-18(29-16)24-7-5-23(6-8-24)9-10-25/h3-4,11-12,25H,5-10H2,1-2H3/b16-12-.
What are the key properties of [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate?
[4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 422.48 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(Z)-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 89160465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).