2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

C19H22Cl2N4O2S — CID 25489845

IUPAC2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1
InChIInChI=1S/C19H22Cl2N4O2S/c1-12-3-2-6-25(9-12)10-14-11-28-19(23-14)24-17(26)8-22-18(27)15-5-4-13(20)7-16(15)21/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,22,27)(H,23,24,26)/t12-/m1/s1
InChIKeyRKLQJLQHCKOEJJ-GFCCVEGCSA-N
MW441.38 g/mol
LogP4.05
Rot. Bonds6

About 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 25489845) has the molecular formula C19H22Cl2N4O2S and a molecular weight of 441.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID25489845
Molecular FormulaC19H22Cl2N4O2S
Molecular Weight441.38 g/mol
Exact Mass440.08
IUPAC Name2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1
InChIInChI=1S/C19H22Cl2N4O2S/c1-12-3-2-6-25(9-12)10-14-11-28-19(23-14)24-17(26)8-22-18(27)15-5-4-13(20)7-16(15)21/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,22,27)(H,23,24,26)/t12-/m1/s1
InChIKeyRKLQJLQHCKOEJJ-GFCCVEGCSA-N
XLogP4.05
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 74646134
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46680161
4-chloro-N-[2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42934456
2-(2,6-dichlorophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46679995
2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 32866960
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55490000
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 51298761
2-(2-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46680251
2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 134051932
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 46680066
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (CID 25489845) is 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is C[C@@H]1CCCN(Cc2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3Cl)n2)C1.
What is the InChIKey of 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is RKLQJLQHCKOEJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2S/c1-12-3-2-6-25(9-12)10-14-11-28-19(23-14)24-17(26)8-22-18(27)15-5-4-13(20)7-16(15)21/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,22,27)(H,23,24,26)/t12-/m1/s1.
What are the key properties of 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 441.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 25489845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).