1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea

C12H15N3O2S — CID 115603712

IUPAC1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
SMILESCCN(C)C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C12H15N3O2S/c1-4-15(2)12(16)14-11-13-9-6-5-8(17-3)7-10(9)18-11/h5-7H,4H2,1-3H3,(H,13,14,16)
InChIKeyCBLDTNDYRLNAQY-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.79
Rot. Bonds3

About 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea

1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea (PubChem CID 115603712) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea.

Molecular Properties

Compound Name1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
PubChem CID115603712
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
SMILESCCN(C)C(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C12H15N3O2S/c1-4-15(2)12(16)14-11-13-9-6-5-8(17-3)7-10(9)18-11/h5-7H,4H2,1-3H3,(H,13,14,16)
InChIKeyCBLDTNDYRLNAQY-UHFFFAOYSA-N
XLogP2.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxy-1,3-benzothiazol-2-yl)-1,1-bis(methylsulfanyl)urea
CID 22299752
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
1-(2-cyclopropyl-2-hydroxyethyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 139010383
2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl-methylamino]propanoic acid
CID 62638641
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
(2S)-2-amino-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylpropanamide
CID 134235960
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)urea
CID 110676070
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea?
The IUPAC name of 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea (CID 115603712) is 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea.
What is the SMILES notation for 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea?
The canonical SMILES for 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea is CCN(C)C(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea?
The InChIKey is CBLDTNDYRLNAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-15(2)12(16)14-11-13-9-6-5-8(17-3)7-10(9)18-11/h5-7H,4H2,1-3H3,(H,13,14,16).
What are the key properties of 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea?
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea has a molecular weight of 265.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea is sourced from PubChem (CID 115603712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).