1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea

C14H14N4O3S2 — CID 75479913

IUPAC1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
SMILESCNC(=O)NNC(=O)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C14H14N4O3S2/c1-7-16-12-10(23-7)5-9(8-3-4-22-13(8)12)21-6-11(19)17-18-14(20)15-2/h3-5H,6H2,1-2H3,(H,17,19)(H2,15,18,20)
InChIKeyJLTLCHZGUDMFMD-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.16
Rot. Bonds3

About 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea

1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea (PubChem CID 75479913) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea.

Molecular Properties

Compound Name1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
PubChem CID75479913
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC Name1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
SMILESCNC(=O)NNC(=O)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C14H14N4O3S2/c1-7-16-12-10(23-7)5-9(8-3-4-22-13(8)12)21-6-11(19)17-18-14(20)15-2/h3-5H,6H2,1-2H3,(H,17,19)(H2,15,18,20)
InChIKeyJLTLCHZGUDMFMD-UHFFFAOYSA-N
XLogP2.16
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]thiophene-2-carbohydrazide
CID 55694017
2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide
CID 46489302
2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide
CID 55694116
N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55704458
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
CID 56580860
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 51173449
N-(5-acetamido-2-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55706842
N-(2-methoxy-2-phenylethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 60543734
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51126918
2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide
CID 56570758
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[(2S)-oxan-2-yl]oxyacetamide
CID 95143080
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine
CID 24702680

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea?
The IUPAC name of 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea (CID 75479913) is 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea.
What is the SMILES notation for 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea?
The canonical SMILES for 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea is CNC(=O)NNC(=O)COc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea?
The InChIKey is JLTLCHZGUDMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c1-7-16-12-10(23-7)5-9(8-3-4-22-13(8)12)21-6-11(19)17-18-14(20)15-2/h3-5H,6H2,1-2H3,(H,17,19)(H2,15,18,20).
What are the key properties of 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea?
1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea has a molecular weight of 350.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea is sourced from PubChem (CID 75479913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).