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

C13H16N4OS — CID 106035993

IUPAC3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
SMILESCc1nc(CCNc2ccc(C(N)=O)cc2N)cs1
InChIInChI=1S/C13H16N4OS/c1-8-17-10(7-19-8)4-5-16-12-3-2-9(13(15)18)6-11(12)14/h2-3,6-7,16H,4-5,14H2,1H3,(H2,15,18)
InChIKeyCWZUFHKTSMDRAP-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.79
Rot. Bonds5

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

3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide (PubChem CID 106035993) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
PubChem CID106035993
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
SMILESCc1nc(CCNc2ccc(C(N)=O)cc2N)cs1
InChIInChI=1S/C13H16N4OS/c1-8-17-10(7-19-8)4-5-16-12-3-2-9(13(15)18)6-11(12)14/h2-3,6-7,16H,4-5,14H2,1H3,(H2,15,18)
InChIKeyCWZUFHKTSMDRAP-UHFFFAOYSA-N
XLogP1.79
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.79
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

2-amino-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 114139616
3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106042806
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434
3-amino-4-(2-thiophen-2-ylethylamino)benzamide
CID 43382673
5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204
5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 106036205
4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106036023
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106036210
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 114140207

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide?
The IUPAC name of 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide (CID 106035993) is 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide.
What is the SMILES notation for 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide?
The canonical SMILES for 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide is Cc1nc(CCNc2ccc(C(N)=O)cc2N)cs1.
What is the InChIKey of 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide?
The InChIKey is CWZUFHKTSMDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-17-10(7-19-8)4-5-16-12-3-2-9(13(15)18)6-11(12)14/h2-3,6-7,16H,4-5,14H2,1H3,(H2,15,18).
What are the key properties of 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide?
3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide has a molecular weight of 276.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide is sourced from PubChem (CID 106035993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).