[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C24H27N3O3S — CID 10478253

IUPAC[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCN(C)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H27N3O3S/c1-26-13-4-14-27(16-15-26)24(28)23-25-21(17-5-9-19(29-2)10-6-17)22(31-23)18-7-11-20(30-3)12-8-18/h5-12H,4,13-16H2,1-3H3
InChIKeyZVTLVUYLEZORCU-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.27
Rot. Bonds5

About [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 10478253) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID10478253
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCN(C)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H27N3O3S/c1-26-13-4-14-27(16-15-26)24(28)23-25-21(17-5-9-19(29-2)10-6-17)22(31-23)18-7-11-20(30-3)12-8-18/h5-12H,4,13-16H2,1-3H3
InChIKeyZVTLVUYLEZORCU-UHFFFAOYSA-N
XLogP4.27
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone 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 [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 10478253) is [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is COc1ccc(-c2nc(C(=O)N3CCCN(C)CC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is ZVTLVUYLEZORCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-26-13-4-14-27(16-15-26)24(28)23-25-21(17-5-9-19(29-2)10-6-17)22(31-23)18-7-11-20(30-3)12-8-18/h5-12H,4,13-16H2,1-3H3.
What are the key properties of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 437.57 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 10478253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).