N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine

C20H16N6S — CID 177371840

IUPACN-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1C
InChIInChI=1S/C20H16N6S/c1-12-21-9-18(26(12)2)13-3-5-16-15(7-13)20(23-10-22-16)25-14-4-6-19-17(8-14)24-11-27-19/h3-11H,1-2H3,(H,22,23,25)
InChIKeySKECELGCEOIMAK-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.69
Rot. Bonds3

About N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine

N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (PubChem CID 177371840) has the molecular formula C20H16N6S and a molecular weight of 372.46 g/mol. Its IUPAC name is N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
PubChem CID177371840
Molecular FormulaC20H16N6S
Molecular Weight372.46 g/mol
Exact Mass372.12
IUPAC NameN-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1C
InChIInChI=1S/C20H16N6S/c1-12-21-9-18(26(12)2)13-3-5-16-15(7-13)20(23-10-22-16)25-14-4-6-19-17(8-14)24-11-27-19/h3-11H,1-2H3,(H,22,23,25)
InChIKeySKECELGCEOIMAK-UHFFFAOYSA-N
XLogP4.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (CID 177371840) is N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is Cc1ncc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)n1C.
What is the InChIKey of N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The InChIKey is SKECELGCEOIMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S/c1-12-21-9-18(26(12)2)13-3-5-16-15(7-13)20(23-10-22-16)25-14-4-6-19-17(8-14)24-11-27-19/h3-11H,1-2H3,(H,22,23,25).
What are the key properties of N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine has a molecular weight of 372.46 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 177371840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).