3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea

C14H19N3O2S — CID 3926238

IUPAC3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
SMILESCCOc1ccc2nc(NC(=O)N(CC)CC)sc2c1
InChIInChI=1S/C14H19N3O2S/c1-4-17(5-2)14(18)16-13-15-11-8-7-10(19-6-3)9-12(11)20-13/h7-9H,4-6H2,1-3H3,(H,15,16,18)
InChIKeyOAAZJMOQTHQHQT-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.57
Rot. Bonds5

About 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea

3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea (PubChem CID 3926238) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
PubChem CID3926238
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
SMILESCCOc1ccc2nc(NC(=O)N(CC)CC)sc2c1
InChIInChI=1S/C14H19N3O2S/c1-4-17(5-2)14(18)16-13-15-11-8-7-10(19-6-3)9-12(11)20-13/h7-9H,4-6H2,1-3H3,(H,15,16,18)
InChIKeyOAAZJMOQTHQHQT-UHFFFAOYSA-N
XLogP3.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
CID 108747722
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 115603712
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7926150

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea?
The IUPAC name of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea (CID 3926238) is 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea.
What is the SMILES notation for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea?
The canonical SMILES for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea is CCOc1ccc2nc(NC(=O)N(CC)CC)sc2c1.
What is the InChIKey of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea?
The InChIKey is OAAZJMOQTHQHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-17(5-2)14(18)16-13-15-11-8-7-10(19-6-3)9-12(11)20-13/h7-9H,4-6H2,1-3H3,(H,15,16,18).
What are the key properties of 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea?
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea has a molecular weight of 293.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea is sourced from PubChem (CID 3926238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).