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

C22H17N5S — CID 8568031

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1nc2ccccc2s1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H17N5S/c1-27(14-20-24-18-10-4-5-11-19(18)28-20)22-16-8-2-3-9-17(16)25-21(26-22)15-7-6-12-23-13-15/h2-13H,14H2,1H3
InChIKeyBSBIGOHUKILDHL-UHFFFAOYSA-N
MW383.48 g/mol
LogP4.94
Rot. Bonds4

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

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 8568031) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID8568031
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1nc2ccccc2s1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H17N5S/c1-27(14-20-24-18-10-4-5-11-19(18)28-20)22-16-8-2-3-9-17(16)25-21(26-22)15-7-6-12-23-13-15/h2-13H,14H2,1H3
InChIKeyBSBIGOHUKILDHL-UHFFFAOYSA-N
XLogP4.94
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 8568031) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CN(Cc1nc2ccccc2s1)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is BSBIGOHUKILDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S/c1-27(14-20-24-18-10-4-5-11-19(18)28-20)22-16-8-2-3-9-17(16)25-21(26-22)15-7-6-12-23-13-15/h2-13H,14H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 383.48 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 8568031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).