N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine

C12H15N3S — CID 51105873

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc2c(c1)SCCC2NC1=NCCN1
InChIInChI=1S/C12H15N3S/c1-2-4-11-9(3-1)10(5-8-16-11)15-12-13-6-7-14-12/h1-4,10H,5-8H2,(H2,13,14,15)
InChIKeyOMFJDJDOLLZHQK-UHFFFAOYSA-N
MW233.34 g/mol
LogP1.77
Rot. Bonds1

About N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine

N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 51105873) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID51105873
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc2c(c1)SCCC2NC1=NCCN1
InChIInChI=1S/C12H15N3S/c1-2-4-11-9(3-1)10(5-8-16-11)15-12-13-6-7-14-12/h1-4,10H,5-8H2,(H2,13,14,15)
InChIKeyOMFJDJDOLLZHQK-UHFFFAOYSA-N
XLogP1.77
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 51105873) is N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine is c1ccc2c(c1)SCCC2NC1=NCCN1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is OMFJDJDOLLZHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-4-11-9(3-1)10(5-8-16-11)15-12-13-6-7-14-12/h1-4,10H,5-8H2,(H2,13,14,15).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 51105873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).