3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide

C19H25N3O3S — CID 110426511

IUPAC3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide
SMILESCCN(CC)Cc1csc(CNC(=O)CCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H25N3O3S/c1-3-22(4-2)11-15-12-26-19(21-15)10-20-18(23)8-6-14-5-7-16-17(9-14)25-13-24-16/h5,7,9,12H,3-4,6,8,10-11,13H2,1-2H3,(H,20,23)
InChIKeyJLFVOZAZTCTTQE-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.96
Rot. Bonds9

About 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide (PubChem CID 110426511) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide
PubChem CID110426511
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide
SMILESCCN(CC)Cc1csc(CNC(=O)CCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H25N3O3S/c1-3-22(4-2)11-15-12-26-19(21-15)10-20-18(23)8-6-14-5-7-16-17(9-14)25-13-24-16/h5,7,9,12H,3-4,6,8,10-11,13H2,1-2H3,(H,20,23)
InChIKeyJLFVOZAZTCTTQE-UHFFFAOYSA-N
XLogP2.96
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110359516
3-(1,3-benzodioxol-5-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
CID 136665369
3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
CID 55976385
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9124350
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
2-(1,3-benzodioxol-5-yl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 91777318
N-(1,3-benzodioxol-5-ylmethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72911057
3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624932
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359539

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide (CID 110426511) is 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide is CCN(CC)Cc1csc(CNC(=O)CCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide?
The InChIKey is JLFVOZAZTCTTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-22(4-2)11-15-12-26-19(21-15)10-20-18(23)8-6-14-5-7-16-17(9-14)25-13-24-16/h5,7,9,12H,3-4,6,8,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 110426511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).