1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea

C15H14N4OS — CID 71655664

IUPAC1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2ccc(-c3ccncc3)cc2s1
InChIInChI=1S/C15H14N4OS/c1-2-17-14(20)19-15-18-12-4-3-11(9-13(12)21-15)10-5-7-16-8-6-10/h3-9H,2H2,1H3,(H2,17,18,19,20)
InChIKeyJEFLIOUUYGTZOU-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.50
Rot. Bonds3

About 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea

1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea (PubChem CID 71655664) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea
PubChem CID71655664
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea
SMILESCCNC(=O)Nc1nc2ccc(-c3ccncc3)cc2s1
InChIInChI=1S/C15H14N4OS/c1-2-17-14(20)19-15-18-12-4-3-11(9-13(12)21-15)10-5-7-16-8-6-10/h3-9H,2H2,1H3,(H2,17,18,19,20)
InChIKeyJEFLIOUUYGTZOU-UHFFFAOYSA-N
XLogP3.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea (CID 71655664) is 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea is CCNC(=O)Nc1nc2ccc(-c3ccncc3)cc2s1.
What is the InChIKey of 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea?
The InChIKey is JEFLIOUUYGTZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-2-17-14(20)19-15-18-12-4-3-11(9-13(12)21-15)10-5-7-16-8-6-10/h3-9H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea?
1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea has a molecular weight of 298.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-pyridin-4-yl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 71655664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).