2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole

C18H14N2OS3 — CID 9405825

IUPAC2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
SMILESCOc1ccccc1-c1nc(CSc2nc3ccccc3s2)cs1
InChIInChI=1S/C18H14N2OS3/c1-21-15-8-4-2-6-13(15)17-19-12(10-22-17)11-23-18-20-14-7-3-5-9-16(14)24-18/h2-10H,11H2,1H3
InChIKeyIQFNCOMTQATSKC-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.72
Rot. Bonds5

About 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole

2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole (PubChem CID 9405825) has the molecular formula C18H14N2OS3 and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
PubChem CID9405825
Molecular FormulaC18H14N2OS3
Molecular Weight370.52 g/mol
Exact Mass370.03
IUPAC Name2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
SMILESCOc1ccccc1-c1nc(CSc2nc3ccccc3s2)cs1
InChIInChI=1S/C18H14N2OS3/c1-21-15-8-4-2-6-13(15)17-19-12(10-22-17)11-23-18-20-14-7-3-5-9-16(14)24-18/h2-10H,11H2,1H3
InChIKeyIQFNCOMTQATSKC-UHFFFAOYSA-N
XLogP5.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 34965167
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 16539589
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 112775383
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111542481
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-methoxybenzoate
CID 46184555
2-(2,3-dimethoxyphenyl)-4-(naphthalen-2-ylsulfanylmethyl)-1,3-thiazole
CID 7403150
5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 55318268
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 851293
2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 29408926

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole?
The IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole (CID 9405825) is 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole is COc1ccccc1-c1nc(CSc2nc3ccccc3s2)cs1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole?
The InChIKey is IQFNCOMTQATSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS3/c1-21-15-8-4-2-6-13(15)17-19-12(10-22-17)11-23-18-20-14-7-3-5-9-16(14)24-18/h2-10H,11H2,1H3.
What are the key properties of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole?
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole has a molecular weight of 370.52 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole is sourced from PubChem (CID 9405825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).