N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide

C14H17N3O3S — CID 110717829

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2csc(N)n2)c1
InChIInChI=1S/C14H17N3O3S/c1-19-11-5-9(6-12(7-11)20-2)13(18)16-4-3-10-8-21-14(15)17-10/h5-8H,3-4H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyLDJZNMWMKBOURQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.72
Rot. Bonds6

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

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 110717829) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID110717829
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2csc(N)n2)c1
InChIInChI=1S/C14H17N3O3S/c1-19-11-5-9(6-12(7-11)20-2)13(18)16-4-3-10-8-21-14(15)17-10/h5-8H,3-4H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyLDJZNMWMKBOURQ-UHFFFAOYSA-N
XLogP1.72
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
2-(2-amino-1,3-thiazol-4-yl)-1-(3,5-dimethoxyphenyl)ethanone
CID 116575716
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 50959187
3,5-dimethoxy-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718557
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide
CID 154905019
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide (CID 110717829) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCc2csc(N)n2)c1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is LDJZNMWMKBOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-19-11-5-9(6-12(7-11)20-2)13(18)16-4-3-10-8-21-14(15)17-10/h5-8H,3-4H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 307.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110717829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).