1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine

C23H23N5OS — CID 67463336

IUPAC1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine
SMILESCOc1cccc2c1N(c1nc3ccccc3s1)C(N)N(Cc1ccccc1)C2N
InChIInChI=1S/C23H23N5OS/c1-29-18-12-7-10-16-20(18)28(23-26-17-11-5-6-13-19(17)30-23)22(25)27(21(16)24)14-15-8-3-2-4-9-15/h2-13,21-22H,14,24-25H2,1H3
InChIKeyDNJMTIKRTDBXIX-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.16
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine

1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine (PubChem CID 67463336) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine
PubChem CID67463336
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine
SMILESCOc1cccc2c1N(c1nc3ccccc3s1)C(N)N(Cc1ccccc1)C2N
InChIInChI=1S/C23H23N5OS/c1-29-18-12-7-10-16-20(18)28(23-26-17-11-5-6-13-19(17)30-23)22(25)27(21(16)24)14-15-8-3-2-4-9-15/h2-13,21-22H,14,24-25H2,1H3
InChIKeyDNJMTIKRTDBXIX-UHFFFAOYSA-N
XLogP4.16
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine (CID 67463336) is 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine is COc1cccc2c1N(c1nc3ccccc3s1)C(N)N(Cc1ccccc1)C2N.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine?
The InChIKey is DNJMTIKRTDBXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-29-18-12-7-10-16-20(18)28(23-26-17-11-5-6-13-19(17)30-23)22(25)27(21(16)24)14-15-8-3-2-4-9-15/h2-13,21-22H,14,24-25H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine?
1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine has a molecular weight of 417.54 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-benzyl-8-methoxy-2,4-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 67463336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).