3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C14H16N2O3S — CID 110284873

IUPAC3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2cscn2)c1
InChIInChI=1S/C14H16N2O3S/c1-18-12-5-10(6-13(7-12)19-2)14(17)15-4-3-11-8-20-9-16-11/h5-9H,3-4H2,1-2H3,(H,15,17)
InChIKeyWFASNCBRIAECTD-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.13
Rot. Bonds6

About 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 110284873) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID110284873
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2cscn2)c1
InChIInChI=1S/C14H16N2O3S/c1-18-12-5-10(6-13(7-12)19-2)14(17)15-4-3-11-8-20-9-16-11/h5-9H,3-4H2,1-2H3,(H,15,17)
InChIKeyWFASNCBRIAECTD-UHFFFAOYSA-N
XLogP2.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63832003
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 77078608
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
3,5-dimethoxy-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660556

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 110284873) is 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2cscn2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is WFASNCBRIAECTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-12-5-10(6-13(7-12)19-2)14(17)15-4-3-11-8-20-9-16-11/h5-9H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 292.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110284873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).