2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide

C25H26N4O2S — CID 70876612

IUPAC2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3CCN(Cc4cc(-c5ccccc5)no4)CC3)ccc2s1
InChIInChI=1S/C25H26N4O2S/c1-17-27-23-13-20(7-8-24(23)32-17)25(30)26-15-18-9-11-29(12-10-18)16-21-14-22(28-31-21)19-5-3-2-4-6-19/h2-8,13-14,18H,9-12,15-16H2,1H3,(H,26,30)
InChIKeyKCYXUTUQEUGKRK-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.90
Rot. Bonds6

About 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide

2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide (PubChem CID 70876612) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
PubChem CID70876612
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3CCN(Cc4cc(-c5ccccc5)no4)CC3)ccc2s1
InChIInChI=1S/C25H26N4O2S/c1-17-27-23-13-20(7-8-24(23)32-17)25(30)26-15-18-9-11-29(12-10-18)16-21-14-22(28-31-21)19-5-3-2-4-6-19/h2-8,13-14,18H,9-12,15-16H2,1H3,(H,26,30)
InChIKeyKCYXUTUQEUGKRK-UHFFFAOYSA-N
XLogP4.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide with MolForge

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Related Compounds

2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 58504202
5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 66989615
N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-2-pyridin-3-ylacetamide
CID 131913778
4-amino-5-cyano-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 46836252
4-cyano-5-ethoxy-2-nitro-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]benzamide
CID 58503963
2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
CID 58504285
1-(3,4-dichlorophenyl)-3-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]propan-1-one
CID 58504172
N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 55663692
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
2-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 45256532
methyl 6-oxo-4-phenyl-2-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxylate
CID 67425764
N-[[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 124750984

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide (CID 70876612) is 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide is Cc1nc2cc(C(=O)NCC3CCN(Cc4cc(-c5ccccc5)no4)CC3)ccc2s1.
What is the InChIKey of 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is KCYXUTUQEUGKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-17-27-23-13-20(7-8-24(23)32-17)25(30)26-15-18-9-11-29(12-10-18)16-21-14-22(28-31-21)19-5-3-2-4-6-19/h2-8,13-14,18H,9-12,15-16H2,1H3,(H,26,30).
What are the key properties of 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide?
2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 70876612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).