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

C11H12N4OS — CID 61089683

IUPAC2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(N)cc2N)n1
InChIInChI=1S/C11H12N4OS/c1-6-5-17-11(14-6)15-10(16)8-3-2-7(12)4-9(8)13/h2-5H,12-13H2,1H3,(H,14,15,16)
InChIKeyDJAKNNAJUARPIH-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.87
Rot. Bonds2

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

2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 61089683) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID61089683
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(N)cc2N)n1
InChIInChI=1S/C11H12N4OS/c1-6-5-17-11(14-6)15-10(16)8-3-2-7(12)4-9(8)13/h2-5H,12-13H2,1H3,(H,14,15,16)
InChIKeyDJAKNNAJUARPIH-UHFFFAOYSA-N
XLogP1.87
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.87
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

5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61090250
2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 61089900
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 110766253
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
2-amino-5-[(2,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 23067463
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4-fluorobenzamide
CID 64556746

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 61089683) is 2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(N)cc2N)n1.
What is the InChIKey of 2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is DJAKNNAJUARPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-5-17-11(14-6)15-10(16)8-3-2-7(12)4-9(8)13/h2-5H,12-13H2,1H3,(H,14,15,16).
What are the key properties of 2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 1.87, 2 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-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61089683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).