4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide

C19H19FN4OS2 — CID 30464037

IUPAC4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H19FN4OS2/c20-15-5-3-14(4-6-15)16-13-27-18(21-16)12-23-7-9-24(10-8-23)19(25)22-17-2-1-11-26-17/h1-6,11,13H,7-10,12H2,(H,22,25)
InChIKeyJHVBVXLHJJNUES-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.36
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide

4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 30464037) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID30464037
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H19FN4OS2/c20-15-5-3-14(4-6-15)16-13-27-18(21-16)12-23-7-9-24(10-8-23)19(25)22-17-2-1-11-26-17/h1-6,11,13H,7-10,12H2,(H,22,25)
InChIKeyJHVBVXLHJJNUES-UHFFFAOYSA-N
XLogP4.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464344
2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
(2,4-difluorophenyl)-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780196
N-propan-2-yl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464372
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540
N-[(3,4-dimethoxyphenyl)methyl]-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464059
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
N-(1,3-benzothiazol-2-yl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486093
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide (CID 30464037) is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is JHVBVXLHJJNUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c20-15-5-3-14(4-6-15)16-13-27-18(21-16)12-23-7-9-24(10-8-23)19(25)22-17-2-1-11-26-17/h1-6,11,13H,7-10,12H2,(H,22,25).
What are the key properties of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide?
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 30464037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).