5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C12H13ClN4OS — CID 62857530

IUPAC5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1nc(Cl)nc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C12H13ClN4OS/c1-7-8-4-6-19-9(8)3-5-17(7)11-14-10(13)15-12(16-11)18-2/h4,6-7H,3,5H2,1-2H3
InChIKeyBTCSYICOYLMHST-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.72
Rot. Bonds2

About 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 62857530) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID62857530
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOc1nc(Cl)nc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C12H13ClN4OS/c1-7-8-4-6-19-9(8)3-5-17(7)11-14-10(13)15-12(16-11)18-2/h4,6-7H,3,5H2,1-2H3
InChIKeyBTCSYICOYLMHST-UHFFFAOYSA-N
XLogP2.72
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
CID 80815263
4-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80789244
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80788902
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79633122
5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpiperazin-2-one
CID 63608002
5-(6-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 115416778
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
1-[3-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]-N-methylmethanamine
CID 62281459
[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol
CID 83184198
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815106

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 62857530) is 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is COc1nc(Cl)nc(N2CCc3sccc3C2C)n1.
What is the InChIKey of 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is BTCSYICOYLMHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-7-8-4-6-19-9(8)3-5-17(7)11-14-10(13)15-12(16-11)18-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 296.78 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 62857530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).