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

C19H14N6S — CID 177371839

IUPACN-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCn1cncc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C19H14N6S/c1-25-10-20-8-17(25)12-2-4-15-14(6-12)19(22-9-21-15)24-13-3-5-18-16(7-13)23-11-26-18/h2-11H,1H3,(H,21,22,24)
InChIKeyJWBBMKOSNWMTEG-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.38
Rot. Bonds3

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

N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (PubChem CID 177371839) has the molecular formula C19H14N6S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
PubChem CID177371839
Molecular FormulaC19H14N6S
Molecular Weight358.43 g/mol
Exact Mass358.10
IUPAC NameN-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCn1cncc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C19H14N6S/c1-25-10-20-8-17(25)12-2-4-15-14(6-12)19(22-9-21-15)24-13-3-5-18-16(7-13)23-11-26-18/h2-11H,1H3,(H,21,22,24)
InChIKeyJWBBMKOSNWMTEG-UHFFFAOYSA-N
XLogP4.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (CID 177371839) is N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is Cn1cncc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1.
What is the InChIKey of N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The InChIKey is JWBBMKOSNWMTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6S/c1-25-10-20-8-17(25)12-2-4-15-14(6-12)19(22-9-21-15)24-13-3-5-18-16(7-13)23-11-26-18/h2-11H,1H3,(H,21,22,24).
What are the key properties of N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine has a molecular weight of 358.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylimidazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 177371839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).