2-methylsulfanyl-3-phenylimidazol-4-amine

C10H11N3S — CID 101471357

IUPAC2-methylsulfanyl-3-phenylimidazol-4-amine
SMILESCSc1ncc(N)n1-c1ccccc1
InChIInChI=1S/C10H11N3S/c1-14-10-12-7-9(11)13(10)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeySIKVUEDETHQEOM-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.18
Rot. Bonds2

About 2-methylsulfanyl-3-phenylimidazol-4-amine

2-methylsulfanyl-3-phenylimidazol-4-amine (PubChem CID 101471357) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-methylsulfanyl-3-phenylimidazol-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-3-phenylimidazol-4-amine
PubChem CID101471357
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-methylsulfanyl-3-phenylimidazol-4-amine
SMILESCSc1ncc(N)n1-c1ccccc1
InChIInChI=1S/C10H11N3S/c1-14-10-12-7-9(11)13(10)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKeySIKVUEDETHQEOM-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159
N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 55919005
2-(2-fluorophenoxy)ethyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486807
5-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)disulfanyl]-4-phenyl-1,2,4-triazol-3-amine
CID 138721906
N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46674108
N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46813286
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
3-phenyl-2-(1,3-thiazol-2-yl)imidazol-4-amine
CID 174747123
1-benzyl-5-methyl-2-methylsulfanylimidazole
CID 58970640
2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 43026675
(3-ethoxycarbonylfuran-2-yl)methyl 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486941
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 40704923

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-phenylimidazol-4-amine?
The IUPAC name of 2-methylsulfanyl-3-phenylimidazol-4-amine (CID 101471357) is 2-methylsulfanyl-3-phenylimidazol-4-amine.
What is the SMILES notation for 2-methylsulfanyl-3-phenylimidazol-4-amine?
The canonical SMILES for 2-methylsulfanyl-3-phenylimidazol-4-amine is CSc1ncc(N)n1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-3-phenylimidazol-4-amine?
The InChIKey is SIKVUEDETHQEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-14-10-12-7-9(11)13(10)8-5-3-2-4-6-8/h2-7H,11H2,1H3.
What are the key properties of 2-methylsulfanyl-3-phenylimidazol-4-amine?
2-methylsulfanyl-3-phenylimidazol-4-amine has a molecular weight of 205.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-phenylimidazol-4-amine is sourced from PubChem (CID 101471357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).