4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C22H28ClN5O2S — CID 42643069

IUPAC4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN1CCC(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(Cl)cc4)n3)CC2)CC1
InChIInChI=1S/C22H28ClN5O2S/c1-26-8-6-19(7-9-26)27-10-12-28(13-11-27)20(29)14-18-15-31-22(24-18)25-21(30)16-2-4-17(23)5-3-16/h2-5,15,19H,6-14H2,1H3,(H,24,25,30)
InChIKeyITTIYGIDVCHZLR-UHFFFAOYSA-N
MW462.02 g/mol
LogP2.83
Rot. Bonds5

About 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 42643069) has the molecular formula C22H28ClN5O2S and a molecular weight of 462.02 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID42643069
Molecular FormulaC22H28ClN5O2S
Molecular Weight462.02 g/mol
Exact Mass461.17
IUPAC Name4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN1CCC(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(Cl)cc4)n3)CC2)CC1
InChIInChI=1S/C22H28ClN5O2S/c1-26-8-6-19(7-9-26)27-10-12-28(13-11-27)20(29)14-18-15-31-22(24-18)25-21(30)16-2-4-17(23)5-3-16/h2-5,15,19H,6-14H2,1H3,(H,24,25,30)
InChIKeyITTIYGIDVCHZLR-UHFFFAOYSA-N
XLogP2.83
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.02
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 697415
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 899301
N-[4-(4-{2-[(R)-2-(3,4-Dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethylamino}-piperidin-1-ylmethyl)-thiazol-2-yl]-acetamide
CID 44337354
2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2523205
4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 4827689
4-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)ethyl)thiazol-2-yl)benzamide
CID 42643068
4-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)thiazol-2-yl)benzamide
CID 42643070
5-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-2-oxoethyl)thiazol-2-yl)thiophene-2-carboxamide
CID 42643121
N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2341051
N-{4-[(4-Chloro-phenylcarbamoyl)-methyl]-thiazol-2-yl}-N-(3-dimethylamino-propyl)-3-methyl-benzamide
CID 11958756
4-chloro-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide
CID 14962273
5-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17535527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 42643069) is 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CN1CCC(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(Cl)cc4)n3)CC2)CC1.
What is the InChIKey of 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is ITTIYGIDVCHZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2S/c1-26-8-6-19(7-9-26)27-10-12-28(13-11-27)20(29)14-18-15-31-22(24-18)25-21(30)16-2-4-17(23)5-3-16/h2-5,15,19H,6-14H2,1H3,(H,24,25,30).
What are the key properties of 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 462.02 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42643069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).