3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

C16H17N3O3S — CID 3389789

IUPAC3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCOc1ccc2c(c1)sc1nc(=O)n(C3CCCCC3)c(=O)n12
InChIInChI=1S/C16H17N3O3S/c1-22-11-7-8-12-13(9-11)23-15-17-14(20)18(16(21)19(12)15)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyLPFJMOVHHREYHL-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.58
Rot. Bonds2

About 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione

3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (PubChem CID 3389789) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
PubChem CID3389789
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
SMILESCOc1ccc2c(c1)sc1nc(=O)n(C3CCCCC3)c(=O)n12
InChIInChI=1S/C16H17N3O3S/c1-22-11-7-8-12-13(9-11)23-15-17-14(20)18(16(21)19(12)15)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyLPFJMOVHHREYHL-UHFFFAOYSA-N
XLogP2.58
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione with MolForge

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Related Compounds

(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone
CID 70515128
2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135401404
2-bromo-1-cyclobutyl-5-methoxybenzimidazole
CID 84812045
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126470999
4-imino-8-methoxy-2-pyrrolidin-1-ylpyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
CID 54752513
7-chloro-1-cyclohexyl-4-methylquinazolin-2-one
CID 159258244
1-cyclohexyl-2-(4-methoxyphenyl)-3-oxoindazole-5-carboxamide
CID 71049874
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
4-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)aniline
CID 82167434
methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate
CID 112617626
4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42811623

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The IUPAC name of 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione (CID 3389789) is 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The canonical SMILES for 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is COc1ccc2c(c1)sc1nc(=O)n(C3CCCCC3)c(=O)n12.
What is the InChIKey of 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
The InChIKey is LPFJMOVHHREYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-22-11-7-8-12-13(9-11)23-15-17-14(20)18(16(21)19(12)15)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione?
3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione has a molecular weight of 331.40 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione is sourced from PubChem (CID 3389789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).