2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine

C21H15N5S — CID 70789685

IUPAC2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2s1
InChIInChI=1S/C21H15N5S/c1-13-23-18-7-6-15(12-19(18)27-13)24-21-16-4-2-3-5-17(16)25-20(26-21)14-8-10-22-11-9-14/h2-12H,1H3,(H,24,25,26)
InChIKeyLCMQRGYBMPOFKO-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.35
Rot. Bonds3

About 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine

2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 70789685) has the molecular formula C21H15N5S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
PubChem CID70789685
Molecular FormulaC21H15N5S
Molecular Weight369.45 g/mol
Exact Mass369.10
IUPAC Name2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2s1
InChIInChI=1S/C21H15N5S/c1-13-23-18-7-6-15(12-19(18)27-13)24-21-16-4-2-3-5-17(16)25-20(26-21)14-8-10-22-11-9-14/h2-12H,1H3,(H,24,25,26)
InChIKeyLCMQRGYBMPOFKO-UHFFFAOYSA-N
XLogP5.35
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine (CID 70789685) is 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine is Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2s1.
What is the InChIKey of 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is LCMQRGYBMPOFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5S/c1-13-23-18-7-6-15(12-19(18)27-13)24-21-16-4-2-3-5-17(16)25-20(26-21)14-8-10-22-11-9-14/h2-12H,1H3,(H,24,25,26).
What are the key properties of 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine?
2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 369.45 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-4-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 70789685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).