[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine

C10H11N3S — CID 107780968

IUPAC[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(Sc2ncc[nH]2)cc1
InChIInChI=1S/C10H11N3S/c11-7-8-1-3-9(4-2-8)14-10-12-5-6-13-10/h1-6H,7,11H2,(H,12,13)
InChIKeyBWSUAHPONIFYIO-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.02
Rot. Bonds3

About [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine

[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine (PubChem CID 107780968) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine
PubChem CID107780968
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(Sc2ncc[nH]2)cc1
InChIInChI=1S/C10H11N3S/c11-7-8-1-3-9(4-2-8)14-10-12-5-6-13-10/h1-6H,7,11H2,(H,12,13)
InChIKeyBWSUAHPONIFYIO-UHFFFAOYSA-N
XLogP2.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine?
The IUPAC name of [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine (CID 107780968) is [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine is NCc1ccc(Sc2ncc[nH]2)cc1.
What is the InChIKey of [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine?
The InChIKey is BWSUAHPONIFYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-7-8-1-3-9(4-2-8)14-10-12-5-6-13-10/h1-6H,7,11H2,(H,12,13).
What are the key properties of [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine?
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine has a molecular weight of 205.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 107780968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).