13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione

C14H14N4OS2 — CID 53370657

IUPAC13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione
SMILESCc1cc(N2CCOCC2)nc2sc3c(=S)nc[nH]c3c12
InChIInChI=1S/C14H14N4OS2/c1-8-6-9(18-2-4-19-5-3-18)17-14-10(8)11-12(21-14)13(20)16-7-15-11/h6-7H,2-5H2,1H3,(H,15,16,20)
InChIKeyKSJOGRYHVQEDSX-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.05
Rot. Bonds1

About 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione

13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione (PubChem CID 53370657) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione.

Molecular Properties

Compound Name13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione
PubChem CID53370657
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione
SMILESCc1cc(N2CCOCC2)nc2sc3c(=S)nc[nH]c3c12
InChIInChI=1S/C14H14N4OS2/c1-8-6-9(18-2-4-19-5-3-18)17-14-10(8)11-12(21-14)13(20)16-7-15-11/h6-7H,2-5H2,1H3,(H,15,16,20)
InChIKeyKSJOGRYHVQEDSX-UHFFFAOYSA-N
XLogP3.05
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione with MolForge

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Related Compounds

5,13-dimethyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 53368200
4-(6-methoxy-13-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)morpholine
CID 53368738
3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269064
2-[(13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]ethanol
CID 53370540
N-(2-methoxyethyl)-13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 53369107
ethyl 2-(13-methyl-11-morpholin-4-yl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetate
CID 53370861
4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)morpholine
CID 138739515
6-methoxy-13-methyl-11-pyrrolidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 53370778
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 86043465
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 124501974
4-(4,8-dimethylquinolin-2-yl)morpholine
CID 798855

Frequently Asked Questions

What is the IUPAC name of 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione?
The IUPAC name of 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione (CID 53370657) is 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione.
What is the SMILES notation for 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione?
The canonical SMILES for 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione is Cc1cc(N2CCOCC2)nc2sc3c(=S)nc[nH]c3c12.
What is the InChIKey of 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione?
The InChIKey is KSJOGRYHVQEDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-8-6-9(18-2-4-19-5-3-18)17-14-10(8)11-12(21-14)13(20)16-7-15-11/h6-7H,2-5H2,1H3,(H,15,16,20).
What are the key properties of 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione?
13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione has a molecular weight of 318.43 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-11-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6-thione is sourced from PubChem (CID 53370657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).