2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide

C12H14N4OS — CID 62403583

IUPAC2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide
SMILESCc1cc(Sc2ccc(N)c(C(N)=O)c2)n(C)n1
InChIInChI=1S/C12H14N4OS/c1-7-5-11(16(2)15-7)18-8-3-4-10(13)9(6-8)12(14)17/h3-6H,13H2,1-2H3,(H2,14,17)
InChIKeyURNRHFXGYGWMGX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide

2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide (PubChem CID 62403583) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide.

Molecular Properties

Compound Name2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide
PubChem CID62403583
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide
SMILESCc1cc(Sc2ccc(N)c(C(N)=O)c2)n(C)n1
InChIInChI=1S/C12H14N4OS/c1-7-5-11(16(2)15-7)18-8-3-4-10(13)9(6-8)12(14)17/h3-6H,13H2,1-2H3,(H2,14,17)
InChIKeyURNRHFXGYGWMGX-UHFFFAOYSA-N
XLogP1.56
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.56
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

4-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide
CID 63356509
3-(2,5-dimethylpyrazol-3-yl)sulfanylbenzoic acid
CID 102823819
2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924162
1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol
CID 55237966
2-(2,5-dimethylpyrazol-3-yl)sulfanylaniline
CID 62409911
ethyl 2-(4-amino-3-carbamoylphenyl)sulfanylacetate
CID 54979960
5-(2,5-dimethylpyrazol-3-yl)sulfanylisoquinolin-8-amine
CID 62409728
(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
CID 114066608
2-amino-5-(4-amino-3-carboxyphenyl)sulfanylbenzoic acid
CID 22061775
methyl 2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 61307726
2-amino-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-fluorobenzoic acid
CID 83206786
4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanylbenzoic acid
CID 55181565

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide?
The IUPAC name of 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide (CID 62403583) is 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide.
What is the SMILES notation for 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide?
The canonical SMILES for 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide is Cc1cc(Sc2ccc(N)c(C(N)=O)c2)n(C)n1.
What is the InChIKey of 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide?
The InChIKey is URNRHFXGYGWMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-5-11(16(2)15-7)18-8-3-4-10(13)9(6-8)12(14)17/h3-6H,13H2,1-2H3,(H2,14,17).
What are the key properties of 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide?
2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide has a molecular weight of 262.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-dimethylpyrazol-3-yl)sulfanylbenzamide is sourced from PubChem (CID 62403583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).