3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide

C19H23Cl2N5O2S — CID 46113810

IUPAC3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(C)CCN1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C19H23Cl2N5O2S/c1-24(2)5-6-25-7-9-26(10-8-25)18(28)16-12-29-19(22-16)23-17(27)13-3-4-14(20)15(21)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,22,23,27)
InChIKeyBROLFKGPVCIHLK-UHFFFAOYSA-N
MW456.40 g/mol
LogP3.02
Rot. Bonds6

About 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide

3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 46113810) has the molecular formula C19H23Cl2N5O2S and a molecular weight of 456.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
PubChem CID46113810
Molecular FormulaC19H23Cl2N5O2S
Molecular Weight456.40 g/mol
Exact Mass455.09
IUPAC Name3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(C)CCN1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C19H23Cl2N5O2S/c1-24(2)5-6-25-7-9-26(10-8-25)18(28)16-12-29-19(22-16)23-17(27)13-3-4-14(20)15(21)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,22,23,27)
InChIKeyBROLFKGPVCIHLK-UHFFFAOYSA-N
XLogP3.02
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
3,4-dichloro-N-[4-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46113807
2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113767
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
2-[(3,4-dichlorobenzoyl)amino]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 46113825
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
N-butan-2-yl-2-[(3,4-dichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46113759
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
CID 150361392
4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915172
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
3-fluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 39162541

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide (CID 46113810) is 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide is CN(C)CCN1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1.
What is the InChIKey of 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BROLFKGPVCIHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O2S/c1-24(2)5-6-25-7-9-26(10-8-25)18(28)16-12-29-19(22-16)23-17(27)13-3-4-14(20)15(21)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,22,23,27).
What are the key properties of 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide?
3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 456.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46113810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).