2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C12H13N3OS2 — CID 43302977

IUPAC2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(N)ccc1SCC(=O)Nc1nccs1
InChIInChI=1S/C12H13N3OS2/c1-8-6-9(13)2-3-10(8)18-7-11(16)15-12-14-4-5-17-12/h2-6H,7,13H2,1H3,(H,14,15,16)
InChIKeyCQMNQRLGVXFNJS-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.76
Rot. Bonds4

About 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 43302977) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID43302977
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(N)ccc1SCC(=O)Nc1nccs1
InChIInChI=1S/C12H13N3OS2/c1-8-6-9(13)2-3-10(8)18-7-11(16)15-12-14-4-5-17-12/h2-6H,7,13H2,1H3,(H,14,15,16)
InChIKeyCQMNQRLGVXFNJS-UHFFFAOYSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.76
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

2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2197616
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43302810
N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
CID 43302863
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
2-(4-amino-2-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43303423
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 43302970
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 22695400
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 7746408
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66104229
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
2-(3-amino-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66224258

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 43302977) is 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cc1cc(N)ccc1SCC(=O)Nc1nccs1.
What is the InChIKey of 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CQMNQRLGVXFNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-8-6-9(13)2-3-10(8)18-7-11(16)15-12-14-4-5-17-12/h2-6H,7,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 279.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 43302977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).