1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea

C14H17N3OS — CID 762207

IUPAC1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea
SMILESO=C(Nc1nc2ccccc2s1)NC1CCCCC1
InChIInChI=1S/C14H17N3OS/c18-13(15-10-6-2-1-3-7-10)17-14-16-11-8-4-5-9-12(11)19-14/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17,18)
InChIKeyGSZWNLGKLPSPAJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.75
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea

1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea (PubChem CID 762207) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea
PubChem CID762207
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea
SMILESO=C(Nc1nc2ccccc2s1)NC1CCCCC1
InChIInChI=1S/C14H17N3OS/c18-13(15-10-6-2-1-3-7-10)17-14-16-11-8-4-5-9-12(11)19-14/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17,18)
InChIKeyGSZWNLGKLPSPAJ-UHFFFAOYSA-N
XLogP3.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea (CID 762207) is 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea is O=C(Nc1nc2ccccc2s1)NC1CCCCC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea?
The InChIKey is GSZWNLGKLPSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-13(15-10-6-2-1-3-7-10)17-14-16-11-8-4-5-9-12(11)19-14/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17,18).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea?
1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea has a molecular weight of 275.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-cyclohexylurea is sourced from PubChem (CID 762207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).