N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

C21H28N4O2S — CID 42933420

IUPACN-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1
InChIInChI=1S/C21H28N4O2S/c1-15-10-16(2)12-25(11-15)13-18-14-28-21(23-18)24-19(26)8-9-22-20(27)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyJJTZYKKOBJZXOW-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.38
Rot. Bonds7

About N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 42933420) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID42933420
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1
InChIInChI=1S/C21H28N4O2S/c1-15-10-16(2)12-25(11-15)13-18-14-28-21(23-18)24-19(26)8-9-22-20(27)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyJJTZYKKOBJZXOW-UHFFFAOYSA-N
XLogP3.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42934456
N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 51959514
N-[4-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 30190106
4-bromo-N-[3-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43004968
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 46430396
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 30192496
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30189111
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
CID 30191375
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188976
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 30188973
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 46699117

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (CID 42933420) is N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is CC1CC(C)CN(Cc2csc(NC(=O)CCNC(=O)c3ccccc3)n2)C1.
What is the InChIKey of N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is JJTZYKKOBJZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-15-10-16(2)12-25(11-15)13-18-14-28-21(23-18)24-19(26)8-9-22-20(27)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3,(H,22,27)(H,23,24,26).
What are the key properties of N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 400.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 42933420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).