4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide

C24H23ClN4O2S — CID 16915172

IUPAC4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O2S/c25-20-10-8-19(9-11-20)22(30)27-24-26-21(17-32-24)23(31)29-15-13-28(14-16-29)12-4-7-18-5-2-1-3-6-18/h1-11,17H,12-16H2,(H,26,27,30)/b7-4+
InChIKeyDVCVACTUZWDZIG-QPJJXVBHSA-N
MW466.99 g/mol
LogP4.52
Rot. Bonds6

About 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 16915172) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
PubChem CID16915172
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O2S/c25-20-10-8-19(9-11-20)22(30)27-24-26-21(17-32-24)23(31)29-15-13-28(14-16-29)12-4-7-18-5-2-1-3-6-18/h1-11,17H,12-16H2,(H,26,27,30)/b7-4+
InChIKeyDVCVACTUZWDZIG-QPJJXVBHSA-N
XLogP4.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509872
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043130
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110854625
(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 146074977
4-chloro-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915165
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide (CID 16915172) is 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is DVCVACTUZWDZIG-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c25-20-10-8-19(9-11-20)22(30)27-24-26-21(17-32-24)23(31)29-15-13-28(14-16-29)12-4-7-18-5-2-1-3-6-18/h1-11,17H,12-16H2,(H,26,27,30)/b7-4+.
What are the key properties of 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 466.99 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16915172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).