1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea

C14H13N3OS2 — CID 121082548

IUPAC1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
SMILESCCc1cccc2sc(NC(=O)Nc3cccs3)nc12
InChIInChI=1S/C14H13N3OS2/c1-2-9-5-3-6-10-12(9)16-14(20-10)17-13(18)15-11-7-4-8-19-11/h3-8H,2H2,1H3,(H2,15,16,17,18)
InChIKeyVBOKEQJNYKFHPP-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.56
Rot. Bonds3

About 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea

1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea (PubChem CID 121082548) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
PubChem CID121082548
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
SMILESCCc1cccc2sc(NC(=O)Nc3cccs3)nc12
InChIInChI=1S/C14H13N3OS2/c1-2-9-5-3-6-10-12(9)16-14(20-10)17-13(18)15-11-7-4-8-19-11/h3-8H,2H2,1H3,(H2,15,16,17,18)
InChIKeyVBOKEQJNYKFHPP-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 121082399
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
CID 121082547
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea
CID 110706893
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 20885064
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 18587080
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 7202719

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea (CID 121082548) is 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea is CCc1cccc2sc(NC(=O)Nc3cccs3)nc12.
What is the InChIKey of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
The InChIKey is VBOKEQJNYKFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-2-9-5-3-6-10-12(9)16-14(20-10)17-13(18)15-11-7-4-8-19-11/h3-8H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea?
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea has a molecular weight of 303.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 121082548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).