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

C20H15N5S — CID 177371834

IUPACN-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCn1cccc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C20H15N5S/c1-25-8-2-3-18(25)13-4-6-16-15(9-13)20(22-11-21-16)24-14-5-7-19-17(10-14)23-12-26-19/h2-12H,1H3,(H,21,22,24)
InChIKeyZGSRGMUNQNJRJN-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.99
Rot. Bonds3

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

N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (PubChem CID 177371834) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
PubChem CID177371834
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC NameN-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESCn1cccc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1
InChIInChI=1S/C20H15N5S/c1-25-8-2-3-18(25)13-4-6-16-15(9-13)20(22-11-21-16)24-14-5-7-19-17(10-14)23-12-26-19/h2-12H,1H3,(H,21,22,24)
InChIKeyZGSRGMUNQNJRJN-UHFFFAOYSA-N
XLogP4.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (CID 177371834) is N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is Cn1cccc1-c1ccc2ncnc(Nc3ccc4scnc4c3)c2c1.
What is the InChIKey of N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The InChIKey is ZGSRGMUNQNJRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c1-25-8-2-3-18(25)13-4-6-16-15(9-13)20(22-11-21-16)24-14-5-7-19-17(10-14)23-12-26-19/h2-12H,1H3,(H,21,22,24).
What are the key properties of N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine has a molecular weight of 357.44 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrrol-2-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 177371834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).