1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea

C15H19N3O2S — CID 750421

IUPAC1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc2nc(NC(=O)NC3CCCCC3)sc2c1
InChIInChI=1S/C15H19N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyVNNJQNCLVLTUOJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.76
Rot. Bonds3

About 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea

1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea (PubChem CID 750421) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
PubChem CID750421
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc2nc(NC(=O)NC3CCCCC3)sc2c1
InChIInChI=1S/C15H19N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,16,17,18,19)
InChIKeyVNNJQNCLVLTUOJ-UHFFFAOYSA-N
XLogP3.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea (CID 750421) is 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea is COc1ccc2nc(NC(=O)NC3CCCCC3)sc2c1.
What is the InChIKey of 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The InChIKey is VNNJQNCLVLTUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea has a molecular weight of 305.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(6-methoxy-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 750421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).