N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide

C14H15N5O2S — CID 91488421

IUPACN-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide
SMILESCC(=O)Nc1nc2cc3cnc(N4CCOCC4)[nH]c-3c2s1
InChIInChI=1S/C14H15N5O2S/c1-8(20)16-14-17-10-6-9-7-15-13(18-11(9)12(10)22-14)19-2-4-21-5-3-19/h6-7H,2-5H2,1H3,(H,15,18)(H,16,17,20)
InChIKeyCDWMFISSQQPYLZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.92
Rot. Bonds2

About N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide

N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide (PubChem CID 91488421) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide.

Molecular Properties

Compound NameN-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide
PubChem CID91488421
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide
SMILESCC(=O)Nc1nc2cc3cnc(N4CCOCC4)[nH]c-3c2s1
InChIInChI=1S/C14H15N5O2S/c1-8(20)16-14-17-10-6-9-7-15-13(18-11(9)12(10)22-14)19-2-4-21-5-3-19/h6-7H,2-5H2,1H3,(H,15,18)(H,16,17,20)
InChIKeyCDWMFISSQQPYLZ-UHFFFAOYSA-N
XLogP1.92
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide with MolForge

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Related Compounds

N-[4-methyl-5-(2-morpholin-4-yl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 71462973
1-[5-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-7-morpholin-4-yl-1,3-benzothiazol-2-yl]-3-ethylurea
CID 140764236
4-ethyl-1-[5-[2-(ethylcarbamoylamino)-7-morpholin-4-yl-1,3-benzothiazol-5-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56953216
N-[6-[6-amino-5-(morpholine-4-carbonyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 59251894
N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 141440785
1-[5-[2-(ethylcarbamoylamino)-7-(morpholine-4-carbonyl)-1,3-benzothiazol-5-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 87222430
N-[4-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide
CID 86610334
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamic acid
CID 154342872
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143037
N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143056
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 144988717

Frequently Asked Questions

What is the IUPAC name of N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide?
The IUPAC name of N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide (CID 91488421) is N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide.
What is the SMILES notation for N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide?
The canonical SMILES for N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide is CC(=O)Nc1nc2cc3cnc(N4CCOCC4)[nH]c-3c2s1.
What is the InChIKey of N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide?
The InChIKey is CDWMFISSQQPYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-8(20)16-14-17-10-6-9-7-15-13(18-11(9)12(10)22-14)19-2-4-21-5-3-19/h6-7H,2-5H2,1H3,(H,15,18)(H,16,17,20).
What are the key properties of N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide?
N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-morpholin-4-yl-3-thia-5,10,12-triazatricyclo[6.4.0.02,6]dodeca-1,4,6,8,10-pentaen-4-yl)acetamide is sourced from PubChem (CID 91488421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).