2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine

C9H8ClN3OS — CID 102838231

IUPAC2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2ccsc2C)n1
InChIInChI=1S/C9H8ClN3OS/c1-5-6(3-4-15-5)7-11-8(10)13-9(12-7)14-2/h3-4H,1-2H3
InChIKeyLPVQKAKAOFJQQM-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.57
Rot. Bonds2

About 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine

2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine (PubChem CID 102838231) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine
PubChem CID102838231
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2ccsc2C)n1
InChIInChI=1S/C9H8ClN3OS/c1-5-6(3-4-15-5)7-11-8(10)13-9(12-7)14-2/h3-4H,1-2H3
InChIKeyLPVQKAKAOFJQQM-UHFFFAOYSA-N
XLogP2.57
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine 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-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
CID 66279714
2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 115503226
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62859542
2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine
CID 104516518
2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 103434463
5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62857530
2-chloro-4-methoxy-6-(4-phenylsulfanylphenyl)-1,3,5-triazine
CID 176887965
5-bromo-2-(2-methylthiophen-3-yl)pyrimidin-4-amine
CID 130581487
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
3-(2-chlorophenyl)-2-methylthiophene
CID 18933115
4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242631
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine (CID 102838231) is 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine is COc1nc(Cl)nc(-c2ccsc2C)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine?
The InChIKey is LPVQKAKAOFJQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-5-6(3-4-15-5)7-11-8(10)13-9(12-7)14-2/h3-4H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine?
2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine has a molecular weight of 241.70 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 102838231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).