5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine

C10H11N3OS — CID 70491101

IUPAC5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine
SMILESNC=CCSc1ccc2oc(N)nc2c1
InChIInChI=1S/C10H11N3OS/c11-4-1-5-15-7-2-3-9-8(6-7)13-10(12)14-9/h1-4,6H,5,11H2,(H2,12,13)
InChIKeyOZGACUHOHLQRRM-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.97
Rot. Bonds3

About 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine

5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine (PubChem CID 70491101) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine
PubChem CID70491101
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine
SMILESNC=CCSc1ccc2oc(N)nc2c1
InChIInChI=1S/C10H11N3OS/c11-4-1-5-15-7-2-3-9-8(6-7)13-10(12)14-9/h1-4,6H,5,11H2,(H2,12,13)
InChIKeyOZGACUHOHLQRRM-UHFFFAOYSA-N
XLogP1.97
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine (CID 70491101) is 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine is NC=CCSc1ccc2oc(N)nc2c1.
What is the InChIKey of 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine?
The InChIKey is OZGACUHOHLQRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-4-1-5-15-7-2-3-9-8(6-7)13-10(12)14-9/h1-4,6H,5,11H2,(H2,12,13).
What are the key properties of 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine?
5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine has a molecular weight of 221.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70491101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).