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

C15H20N4OS — CID 82993398

IUPAC3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide
SMILESCc1csc(CCNc2ccc(C(=O)N(C)C)cc2N)n1
InChIInChI=1S/C15H20N4OS/c1-10-9-21-14(18-10)6-7-17-13-5-4-11(8-12(13)16)15(20)19(2)3/h4-5,8-9,17H,6-7,16H2,1-3H3
InChIKeyGMEKUNYNTKLRKA-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.39
Rot. Bonds5

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

3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide (PubChem CID 82993398) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide
PubChem CID82993398
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide
SMILESCc1csc(CCNc2ccc(C(=O)N(C)C)cc2N)n1
InChIInChI=1S/C15H20N4OS/c1-10-9-21-14(18-10)6-7-17-13-5-4-11(8-12(13)16)15(20)19(2)3/h4-5,8-9,17H,6-7,16H2,1-3H3
InChIKeyGMEKUNYNTKLRKA-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
4-bromo-5-fluoro-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 66112510
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106035993
4-amino-N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 82901841
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238860
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
4-amino-N,N-dimethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414327
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide (CID 82993398) is 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide is Cc1csc(CCNc2ccc(C(=O)N(C)C)cc2N)n1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide?
The InChIKey is GMEKUNYNTKLRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-9-21-14(18-10)6-7-17-13-5-4-11(8-12(13)16)15(20)19(2)3/h4-5,8-9,17H,6-7,16H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide?
3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide has a molecular weight of 304.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzamide is sourced from PubChem (CID 82993398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).