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

C18H12N6S — CID 177371843

IUPACN-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESc1cc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)[nH]n1
InChIInChI=1S/C18H12N6S/c1-3-15-13(7-11(1)14-5-6-22-24-14)18(20-9-19-15)23-12-2-4-17-16(8-12)21-10-25-17/h1-10H,(H,22,24)(H,19,20,23)
InChIKeyIJWNWVKVBJUIJN-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.37
Rot. Bonds3

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

N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (PubChem CID 177371843) has the molecular formula C18H12N6S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
PubChem CID177371843
Molecular FormulaC18H12N6S
Molecular Weight344.40 g/mol
Exact Mass344.08
IUPAC NameN-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
SMILESc1cc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)[nH]n1
InChIInChI=1S/C18H12N6S/c1-3-15-13(7-11(1)14-5-6-22-24-14)18(20-9-19-15)23-12-2-4-17-16(8-12)21-10-25-17/h1-10H,(H,22,24)(H,19,20,23)
InChIKeyIJWNWVKVBJUIJN-UHFFFAOYSA-N
XLogP4.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine (CID 177371843) is N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is c1cc(-c2ccc3ncnc(Nc4ccc5scnc5c4)c3c2)[nH]n1.
What is the InChIKey of N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
The InChIKey is IJWNWVKVBJUIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6S/c1-3-15-13(7-11(1)14-5-6-22-24-14)18(20-9-19-15)23-12-2-4-17-16(8-12)21-10-25-17/h1-10H,(H,22,24)(H,19,20,23).
What are the key properties of N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine?
N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine has a molecular weight of 344.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-pyrazol-5-yl)quinazolin-4-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 177371843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).