(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol

C24H25N3O4S — CID 139508381

IUPAC(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
SMILESCOc1cc(C(O)C2(OC)CCC2)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1
InChIInChI=1S/C24H25N3O4S/c1-13-8-16(20-17(9-13)26-19(30-3)12-25-20)23-27-21-15(10-14(29-2)11-18(21)32-23)22(28)24(31-4)6-5-7-24/h8-12,22,28H,5-7H2,1-4H3
InChIKeyZXANYCDPJWAGDG-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.83
Rot. Bonds6

About (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol

(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol (PubChem CID 139508381) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
PubChem CID139508381
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
SMILESCOc1cc(C(O)C2(OC)CCC2)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1
InChIInChI=1S/C24H25N3O4S/c1-13-8-16(20-17(9-13)26-19(30-3)12-25-20)23-27-21-15(10-14(29-2)11-18(21)32-23)22(28)24(31-4)6-5-7-24/h8-12,22,28H,5-7H2,1-4H3
InChIKeyZXANYCDPJWAGDG-UHFFFAOYSA-N
XLogP4.83
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol 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-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol?
The IUPAC name of (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol (CID 139508381) is (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol.
What is the SMILES notation for (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol?
The canonical SMILES for (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol is COc1cc(C(O)C2(OC)CCC2)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1.
What is the InChIKey of (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol?
The InChIKey is ZXANYCDPJWAGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-13-8-16(20-17(9-13)26-19(30-3)12-25-20)23-27-21-15(10-14(29-2)11-18(21)32-23)22(28)24(31-4)6-5-7-24/h8-12,22,28H,5-7H2,1-4H3.
What are the key properties of (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol?
(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol has a molecular weight of 451.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol is sourced from PubChem (CID 139508381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).