1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea

C11H14N4O2S — CID 43551282

IUPAC1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(OC)cc(N)cc2s1
InChIInChI=1S/C11H14N4O2S/c1-3-13-10(16)15-11-14-9-7(17-2)4-6(12)5-8(9)18-11/h4-5H,3,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyHAVCRRYUKHRNGD-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.03
Rot. Bonds3

About 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea

1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea (PubChem CID 43551282) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
PubChem CID43551282
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(OC)cc(N)cc2s1
InChIInChI=1S/C11H14N4O2S/c1-3-13-10(16)15-11-14-9-7(17-2)4-6(12)5-8(9)18-11/h4-5H,3,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyHAVCRRYUKHRNGD-UHFFFAOYSA-N
XLogP2.03
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
CID 115949180
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949179
methyl 4-[(6-amino-4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 1160312
2-N-(ethylsulfamoyl)-4-methoxy-1,3-benzothiazole-2,6-diamine
CID 114804545
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide
CID 104669149
1-[6-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71746161
ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate
CID 46326034
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)propane-2-sulfonamide
CID 60860065
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
4-methoxy-2-N-(2-methylpropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
CID 114814113
3,4,5-triethoxy-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 4152355

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea?
The IUPAC name of 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea (CID 43551282) is 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea.
What is the SMILES notation for 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea?
The canonical SMILES for 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea is CCNC(=O)Nc1nc2c(OC)cc(N)cc2s1.
What is the InChIKey of 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea?
The InChIKey is HAVCRRYUKHRNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-13-10(16)15-11-14-9-7(17-2)4-6(12)5-8(9)18-11/h4-5H,3,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea?
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea has a molecular weight of 266.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea is sourced from PubChem (CID 43551282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).