N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine

C13H13N5S — CID 107784957

IUPACN-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
SMILESCCNc1nc(Sc2ncc[nH]2)c2ccccc2n1
InChIInChI=1S/C13H13N5S/c1-2-14-12-17-10-6-4-3-5-9(10)11(18-12)19-13-15-7-8-16-13/h3-8H,2H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyZAPIGCBOOHQNQH-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.94
Rot. Bonds4

About N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine

N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine (PubChem CID 107784957) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
PubChem CID107784957
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC NameN-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
SMILESCCNc1nc(Sc2ncc[nH]2)c2ccccc2n1
InChIInChI=1S/C13H13N5S/c1-2-14-12-17-10-6-4-3-5-9(10)11(18-12)19-13-15-7-8-16-13/h3-8H,2H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyZAPIGCBOOHQNQH-UHFFFAOYSA-N
XLogP2.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine?
The IUPAC name of N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine (CID 107784957) is N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine.
What is the SMILES notation for N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine?
The canonical SMILES for N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine is CCNc1nc(Sc2ncc[nH]2)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine?
The InChIKey is ZAPIGCBOOHQNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-2-14-12-17-10-6-4-3-5-9(10)11(18-12)19-13-15-7-8-16-13/h3-8H,2H2,1H3,(H,15,16)(H,14,17,18).
What are the key properties of N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine?
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine is sourced from PubChem (CID 107784957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).