N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C18H21N3O4S — CID 91800644

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CC(C)OC(C)C2)sc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O4S/c1-10-7-21(8-11(2)25-10)18-19-12(3)16(26-18)17(22)20-13-4-5-14-15(6-13)24-9-23-14/h4-6,10-11H,7-9H2,1-3H3,(H,20,22)
InChIKeyRANZUPJSBUXAJG-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.05
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91800644) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID91800644
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CC(C)OC(C)C2)sc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O4S/c1-10-7-21(8-11(2)25-10)18-19-12(3)16(26-18)17(22)20-13-4-5-14-15(6-13)24-9-23-14/h4-6,10-11H,7-9H2,1-3H3,(H,20,22)
InChIKeyRANZUPJSBUXAJG-UHFFFAOYSA-N
XLogP3.05
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
[2-(1,3-Benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 71818432
(2,3-Dimethylpiperidin-1-yl)-[2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-5-methyl-1,3-thiazol-4-yl]methanone
CID 71818433
Ethyl 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16250910
1-[2-(1,3-Benzodioxol-5-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 873024
(2-(Benzo[D][1,3]dioxol-5-ylamino)thiazol-4-YL)(3,5-dimethylpiperidin-1-YL)methanone
CID 84430250
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 162423070
N-(2H-1,3-benzodioxol-5-yl)-2-{2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl}acetamide
CID 27377852
Ethyl (4-(2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thiazol-2-yl)carbamate
CID 16883936
N-(2H-1,3-benzodioxol-5-yl)-2-(4-methoxybenzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 16945013
N-(2H-1,3-benzodioxol-5-yl)-3-{2-[(phenylcarbamoyl)amino]-1,3-thiazol-4-yl}propanamide
CID 27377229
N-(2H-1,3-benzodioxol-5-yl)-2-[2-(phenylamino)-1,3-thiazol-4-yl]acetamide
CID 27377729

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 91800644) is N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N2CC(C)OC(C)C2)sc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RANZUPJSBUXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-10-7-21(8-11(2)25-10)18-19-12(3)16(26-18)17(22)20-13-4-5-14-15(6-13)24-9-23-14/h4-6,10-11H,7-9H2,1-3H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91800644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).