N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide

C17H22N2O3S — CID 48573492

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)N(CC)Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C17H22N2O3S/c1-5-16-18-10-15(23-16)17(20)19(6-2)11-12-7-8-13(21-3)14(9-12)22-4/h7-10H,5-6,11H2,1-4H3
InChIKeyUUTBXLBPSXEHSA-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.38
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide (PubChem CID 48573492) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide
PubChem CID48573492
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)N(CC)Cc2ccc(OC)c(OC)c2)s1
InChIInChI=1S/C17H22N2O3S/c1-5-16-18-10-15(23-16)17(20)19(6-2)11-12-7-8-13(21-3)14(9-12)22-4/h7-10H,5-6,11H2,1-4H3
InChIKeyUUTBXLBPSXEHSA-UHFFFAOYSA-N
XLogP3.38
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 30292079
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 31339187
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide (CID 48573492) is N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)N(CC)Cc2ccc(OC)c(OC)c2)s1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide?
The InChIKey is UUTBXLBPSXEHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-16-18-10-15(23-16)17(20)19(6-2)11-12-7-8-13(21-3)14(9-12)22-4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48573492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).