N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide

C20H28N4OS — CID 134808374

IUPACN-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(N(C)C)c3)s2)CC1
InChIInChI=1S/C20H28N4OS/c1-15(25)22-20(2)8-10-24(11-9-20)14-18-13-21-19(26-18)16-6-5-7-17(12-16)23(3)4/h5-7,12-13H,8-11,14H2,1-4H3,(H,22,25)
InChIKeyKVKVISQOFNEIFM-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.37
Rot. Bonds5

About N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide

N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide (PubChem CID 134808374) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
PubChem CID134808374
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(N(C)C)c3)s2)CC1
InChIInChI=1S/C20H28N4OS/c1-15(25)22-20(2)8-10-24(11-9-20)14-18-13-21-19(26-18)16-6-5-7-17(12-16)23(3)4/h5-7,12-13H,8-11,14H2,1-4H3,(H,22,25)
InChIKeyKVKVISQOFNEIFM-UHFFFAOYSA-N
XLogP3.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 25023854
2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
ST4014630
CID 684061
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
1-(2-pyridinylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24791083
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
N-(4-methylphenyl)-3-(2-pyridinylsulfanyl)propanamide
CID 851336
N-(3-methylphenyl)-3-(2-pyridinylsulfanyl)propanamide
CID 851339
N-[3-(1,3-benzothiazol-2-yl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 1867212
N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 118716532
1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 162651491

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide (CID 134808374) is N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(Cc2cnc(-c3cccc(N(C)C)c3)s2)CC1.
What is the InChIKey of N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide?
The InChIKey is KVKVISQOFNEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-15(25)22-20(2)8-10-24(11-9-20)14-18-13-21-19(26-18)16-6-5-7-17(12-16)23(3)4/h5-7,12-13H,8-11,14H2,1-4H3,(H,22,25).
What are the key properties of N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide?
N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide has a molecular weight of 372.54 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-[3-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 134808374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).