4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide

C14H18N4OS — CID 106036023

IUPAC4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)cc1NCCc1csc(C)n1
InChIInChI=1S/C14H18N4OS/c1-9-18-11(8-20-9)5-6-17-13-7-10(15)3-4-12(13)14(19)16-2/h3-4,7-8,17H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyQOGYIWRZPBDZIH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.05
Rot. Bonds5

About 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide

4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide (PubChem CID 106036023) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
PubChem CID106036023
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)cc1NCCc1csc(C)n1
InChIInChI=1S/C14H18N4OS/c1-9-18-11(8-20-9)5-6-17-13-7-10(15)3-4-12(13)14(19)16-2/h3-4,7-8,17H,5-6,15H2,1-2H3,(H,16,19)
InChIKeyQOGYIWRZPBDZIH-UHFFFAOYSA-N
XLogP2.05
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434
5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106036210
4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106414056
5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204
1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106036005
2-amino-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 114139616
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106035993
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80681461
2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114140022
2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 106035818
5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 106036205

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide (CID 106036023) is 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide is CNC(=O)c1ccc(N)cc1NCCc1csc(C)n1.
What is the InChIKey of 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide?
The InChIKey is QOGYIWRZPBDZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-18-11(8-20-9)5-6-17-13-7-10(15)3-4-12(13)14(19)16-2/h3-4,7-8,17H,5-6,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide?
4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide has a molecular weight of 290.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide is sourced from PubChem (CID 106036023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).