2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide

C30H27N3OS — CID 43965775

IUPAC2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)c1cccc2sc(N(Cc3cccnc3)C(=O)C(c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C30H27N3OS/c1-21(2)25-16-9-17-26-28(25)32-30(35-26)33(20-22-11-10-18-31-19-22)29(34)27(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-19,21,27H,20H2,1-2H3
InChIKeyGPWSMIOVHHOPGX-UHFFFAOYSA-N
MW477.63 g/mol
LogP7.18
Rot. Bonds7

About 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide

2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 43965775) has the molecular formula C30H27N3OS and a molecular weight of 477.63 g/mol. Its IUPAC name is 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID43965775
Molecular FormulaC30H27N3OS
Molecular Weight477.63 g/mol
Exact Mass477.19
IUPAC Name2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)c1cccc2sc(N(Cc3cccnc3)C(=O)C(c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C30H27N3OS/c1-21(2)25-16-9-17-26-28(25)32-30(35-26)33(20-22-11-10-18-31-19-22)29(34)27(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-19,21,27H,20H2,1-2H3
InChIKeyGPWSMIOVHHOPGX-UHFFFAOYSA-N
XLogP7.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
CID 40995823
4-phenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43965761
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 16939256
3-chloro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 43965766
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16939244
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
CID 43965999
N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939048
3,5-dimethoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 16939233
(E)-3-(2-chlorophenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 16841767
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
CID 43965962
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16841770
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 16939347

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 43965775) is 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide is CC(C)c1cccc2sc(N(Cc3cccnc3)C(=O)C(c3ccccc3)c3ccccc3)nc12.
What is the InChIKey of 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GPWSMIOVHHOPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3OS/c1-21(2)25-16-9-17-26-28(25)32-30(35-26)33(20-22-11-10-18-31-19-22)29(34)27(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-19,21,27H,20H2,1-2H3.
What are the key properties of 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 477.63 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 43965775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).