1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea

C11H13N3O2S — CID 59603073

IUPAC1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(O)c(C)cc2s1
InChIInChI=1S/C11H13N3O2S/c1-3-12-10(16)14-11-13-7-5-8(15)6(2)4-9(7)17-11/h4-5,15H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyBFTGFSXOLBQJNU-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.45
Rot. Bonds2

About 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea

1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea (PubChem CID 59603073) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea
PubChem CID59603073
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2cc(O)c(C)cc2s1
InChIInChI=1S/C11H13N3O2S/c1-3-12-10(16)14-11-13-7-5-8(15)6(2)4-9(7)17-11/h4-5,15H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyBFTGFSXOLBQJNU-UHFFFAOYSA-N
XLogP2.45
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89172846
CID 89172846
1-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082538
1-ethyl-3-(6-phenyl-1,3-benzothiazol-2-yl)urea
CID 71655663
CID 87276180
CID 87276180
[2-(ethylcarbamoylamino)-1,3-benzothiazol-5-yl] trifluoromethanesulfonate
CID 59603077
1-[6-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71746161
1-ethyl-3-[5-(2-methoxy-1,3-thiazol-5-yl)-1,3-benzothiazol-2-yl]urea
CID 42633662
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 43551282
ethyl 2-[5-[2-(ethylcarbamoylamino)-1,3-benzothiazol-5-yl]-2-oxo-1-pyridinyl]acetate
CID 87553673
(2S)-2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 28661952
ethane;1-ethyl-3-(7-methyl-5-pyridin-3-yl-1,3-benzothiazol-2-yl)urea
CID 143598440
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-fluorophenyl)urea
CID 4525019

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea (CID 59603073) is 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea is CCNC(=O)Nc1nc2cc(O)c(C)cc2s1.
What is the InChIKey of 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea?
The InChIKey is BFTGFSXOLBQJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-12-10(16)14-11-13-7-5-8(15)6(2)4-9(7)17-11/h4-5,15H,3H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea?
1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea has a molecular weight of 251.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 59603073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).