2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide

C13H16N4OS — CID 61472147

IUPAC2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1nc(NC(=O)c2ccc(N)cc2N)sc1C
InChIInChI=1S/C13H16N4OS/c1-3-11-7(2)19-13(16-11)17-12(18)9-5-4-8(14)6-10(9)15/h4-6H,3,14-15H2,1-2H3,(H,16,17,18)
InChIKeyRKSZEJBMLMNYFU-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.43
Rot. Bonds3

About 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide

2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 61472147) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID61472147
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1nc(NC(=O)c2ccc(N)cc2N)sc1C
InChIInChI=1S/C13H16N4OS/c1-3-11-7(2)19-13(16-11)17-12(18)9-5-4-8(14)6-10(9)15/h4-6H,3,14-15H2,1-2H3,(H,16,17,18)
InChIKeyRKSZEJBMLMNYFU-UHFFFAOYSA-N
XLogP2.43
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.43
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-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
CID 61471793
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
CID 47047644
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62244060
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 75400993
4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61477386
4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 78987642
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524874
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-iodobenzamide
CID 114027614

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide (CID 61472147) is 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide is CCc1nc(NC(=O)c2ccc(N)cc2N)sc1C.
What is the InChIKey of 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RKSZEJBMLMNYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-11-7(2)19-13(16-11)17-12(18)9-5-4-8(14)6-10(9)15/h4-6H,3,14-15H2,1-2H3,(H,16,17,18).
What are the key properties of 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 276.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61472147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).