N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide

C25H25N3O3S — CID 41055471

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(OC(C)C)cc3)nc12
InChIInChI=1S/C25H25N3O3S/c1-4-30-21-9-7-10-22-23(21)27-25(32-22)28(16-19-8-5-6-15-26-19)24(29)18-11-13-20(14-12-18)31-17(2)3/h5-15,17H,4,16H2,1-3H3
InChIKeyQKIWBOHKONPBKW-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.72
Rot. Bonds8

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 41055471) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID41055471
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(OC(C)C)cc3)nc12
InChIInChI=1S/C25H25N3O3S/c1-4-30-21-9-7-10-22-23(21)27-25(32-22)28(16-19-8-5-6-15-26-19)24(29)18-11-13-20(14-12-18)31-17(2)3/h5-15,17H,4,16H2,1-3H3
InChIKeyQKIWBOHKONPBKW-UHFFFAOYSA-N
XLogP5.72
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055429
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519165
3,4,5-triethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055472
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519172
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 16939102
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 41055475
N-benzyl-4-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41109779
4-(azepan-1-ylsulfonyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987748
N-(6-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 40699733
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055404
5-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 43986310
4-butoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055313

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide (CID 41055471) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide is CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(OC(C)C)cc3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is QKIWBOHKONPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-4-30-21-9-7-10-22-23(21)27-25(32-22)28(16-19-8-5-6-15-26-19)24(29)18-11-13-20(14-12-18)31-17(2)3/h5-15,17H,4,16H2,1-3H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 447.56 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 41055471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).