4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine

C21H18N4O2S2 — CID 23823582

IUPAC4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3cccnc3)n2N=Cc2cccs2)c(OC)c1
InChIInChI=1S/C21H18N4O2S2/c1-26-16-7-8-18(20(11-16)27-2)19-14-29-21(24-15-5-3-9-22-12-15)25(19)23-13-17-6-4-10-28-17/h3-14H,1-2H3/b23-13?,24-21-
InChIKeyCQXIZHQRWJQQPG-HKQCODESSA-N
MW422.54 g/mol
LogP4.80
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine

4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23823582) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23823582
Molecular FormulaC21H18N4O2S2
Molecular Weight422.54 g/mol
Exact Mass422.09
IUPAC Name4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3cccnc3)n2N=Cc2cccs2)c(OC)c1
InChIInChI=1S/C21H18N4O2S2/c1-26-16-7-8-18(20(11-16)27-2)19-14-29-21(24-15-5-3-9-22-12-15)25(19)23-13-17-6-4-10-28-17/h3-14H,1-2H3/b23-13?,24-21-
InChIKeyCQXIZHQRWJQQPG-HKQCODESSA-N
XLogP4.80
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine 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

4-(2,5-dimethoxyphenyl)-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23936246
N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23857374
N-benzyl-4-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993667
4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23879982
(Z)-4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9410516
4-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23959793
4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23904413
4-bromo-2-[[4-(2-bromophenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135693034
4-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23903751
4-bromo-2-[[4-(2,4-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135778653
3-(3-imidazol-1-ylpropyl)-4-(6-methoxynaphthalen-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23903651
6-[2-pyridin-3-ylimino-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23737401

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23823582) is 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\c3cccnc3)n2N=Cc2cccs2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is CQXIZHQRWJQQPG-HKQCODESSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c1-26-16-7-8-18(20(11-16)27-2)19-14-29-21(24-15-5-3-9-22-12-15)25(19)23-13-17-6-4-10-28-17/h3-14H,1-2H3/b23-13?,24-21-.
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 422.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-pyridin-3-yl-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23823582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).