N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

C26H23N3O4S — CID 118756509

IUPACN-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2cccc(OCc3ccc4c(c3)OCO4)c2)Cc2ccccn2)cs1
InChIInChI=1S/C26H23N3O4S/c1-18-28-23(16-34-18)26(30)29(14-21-6-2-3-10-27-21)13-19-5-4-7-22(11-19)31-15-20-8-9-24-25(12-20)33-17-32-24/h2-12,16H,13-15,17H2,1H3
InChIKeyUILSRDNZTQBONG-UHFFFAOYSA-N
MW473.55 g/mol
LogP5.00
Rot. Bonds8

About N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 118756509) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID118756509
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2cccc(OCc3ccc4c(c3)OCO4)c2)Cc2ccccn2)cs1
InChIInChI=1S/C26H23N3O4S/c1-18-28-23(16-34-18)26(30)29(14-21-6-2-3-10-27-21)13-19-5-4-7-22(11-19)31-15-20-8-9-24-25(12-20)33-17-32-24/h2-12,16H,13-15,17H2,1H3
InChIKeyUILSRDNZTQBONG-UHFFFAOYSA-N
XLogP5.00
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
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2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42835481
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CID 113163231
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CID 26353603
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CID 42725112
3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795
3-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 71960890
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
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N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyridin-2-ylethyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 118756509) is N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(Cc2cccc(OCc3ccc4c(c3)OCO4)c2)Cc2ccccn2)cs1.
What is the InChIKey of N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UILSRDNZTQBONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c1-18-28-23(16-34-18)26(30)29(14-21-6-2-3-10-27-21)13-19-5-4-7-22(11-19)31-15-20-8-9-24-25(12-20)33-17-32-24/h2-12,16H,13-15,17H2,1H3.
What are the key properties of N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-benzodioxol-5-ylmethoxy)phenyl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118756509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).