2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C15H15N5OS2 — CID 44564989

IUPAC2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Sc3nccn3C)ccc2N)n1
InChIInChI=1S/C15H15N5OS2/c1-9-8-22-14(18-9)19-13(21)11-7-10(3-4-12(11)16)23-15-17-5-6-20(15)2/h3-8H,16H2,1-2H3,(H,18,19,21)
InChIKeyGIQZMGJQUQFLRK-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.17
Rot. Bonds4

About 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 44564989) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID44564989
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(Sc3nccn3C)ccc2N)n1
InChIInChI=1S/C15H15N5OS2/c1-9-8-22-14(18-9)19-13(21)11-7-10(3-4-12(11)16)23-15-17-5-6-20(15)2/h3-8H,16H2,1-2H3,(H,18,19,21)
InChIKeyGIQZMGJQUQFLRK-UHFFFAOYSA-N
XLogP3.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)benzamide
CID 449003
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 9819610
2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-((4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl)benzamide
CID 25229552
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
5-(4H-1,2,4-triazol-3-ylthio)-2-amino-N-(4-methylthiazol-2-yl)benzamide
CID 23067404
2-amino-5-(ethylthio)-N-(4-methylthiazol-2-yl)benzamide
CID 23067445
2-amino-4-fluoro-5-(1-methyl-1H-imidazol-2-ylthio)-N-(4-methylthiazol-2-yl)benzamide
CID 54586307
2-amino-N-(1,3-thiazol-2-yl)benzamide
CID 847246
Benzamide derivative, 12
CID 44263455
Benzamide derivative, 13q
CID 44263472
5-(2-Fluoro-benzoylamino)-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44388518
5-(4-Fluoro-benzoylamino)-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44388564

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 44564989) is 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(Sc3nccn3C)ccc2N)n1.
What is the InChIKey of 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GIQZMGJQUQFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-9-8-22-14(18-9)19-13(21)11-7-10(3-4-12(11)16)23-15-17-5-6-20(15)2/h3-8H,16H2,1-2H3,(H,18,19,21).
What are the key properties of 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 345.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylimidazol-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 44564989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).