2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide

C16H21N3O2S — CID 110450334

IUPAC2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1csc(-c2ccccc2CN)n1
InChIInChI=1S/C16H21N3O2S/c1-21-8-4-7-18-15(20)9-13-11-22-16(19-13)14-6-3-2-5-12(14)10-17/h2-3,5-6,11H,4,7-10,17H2,1H3,(H,18,20)
InChIKeyRQNKGWDNFLQFAU-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.96
Rot. Bonds8

About 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide

2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 110450334) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
PubChem CID110450334
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1csc(-c2ccccc2CN)n1
InChIInChI=1S/C16H21N3O2S/c1-21-8-4-7-18-15(20)9-13-11-22-16(19-13)14-6-3-2-5-12(14)10-17/h2-3,5-6,11H,4,7-10,17H2,1H3,(H,18,20)
InChIKeyRQNKGWDNFLQFAU-UHFFFAOYSA-N
XLogP1.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide
CID 110450350
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide
CID 110450485
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 30859184
N-(3-ethoxypropyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32979634
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536784
N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386565
6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid
CID 45493291
N-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032605
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide (CID 110450334) is 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1csc(-c2ccccc2CN)n1.
What is the InChIKey of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is RQNKGWDNFLQFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-21-8-4-7-18-15(20)9-13-11-22-16(19-13)14-6-3-2-5-12(14)10-17/h2-3,5-6,11H,4,7-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide?
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110450334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).