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

C15H19N3OS — CID 30264876

IUPAC1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
SMILESO=C(Nc1nc2ccccc2s1)NC1CCCCCC1
InChIInChI=1S/C15H19N3OS/c19-14(16-11-7-3-1-2-4-8-11)18-15-17-12-9-5-6-10-13(12)20-15/h5-6,9-11H,1-4,7-8H2,(H2,16,17,18,19)
InChIKeyFTJFUQSHZAXRJR-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.14
Rot. Bonds2

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

1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea (PubChem CID 30264876) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
PubChem CID30264876
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
SMILESO=C(Nc1nc2ccccc2s1)NC1CCCCCC1
InChIInChI=1S/C15H19N3OS/c19-14(16-11-7-3-1-2-4-8-11)18-15-17-12-9-5-6-10-13(12)20-15/h5-6,9-11H,1-4,7-8H2,(H2,16,17,18,19)
InChIKeyFTJFUQSHZAXRJR-UHFFFAOYSA-N
XLogP4.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-cycloheptylpropanamide
CID 25487919
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
CID 46385341
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121082874
2-(1,3-benzothiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 4153811
(2R)-N-(1,3-benzothiazol-2-yl)-2-cyclopentyl-2-phenylacetamide
CID 940434
5-(1,3-benzothiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102687647
1-(1,3-benzothiazol-2-yl)-3-[[(1R,3R)-3-[(1,3-benzothiazol-2-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 27190983

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea (CID 30264876) is 1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea is O=C(Nc1nc2ccccc2s1)NC1CCCCCC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea?
The InChIKey is FTJFUQSHZAXRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-14(16-11-7-3-1-2-4-8-11)18-15-17-12-9-5-6-10-13(12)20-15/h5-6,9-11H,1-4,7-8H2,(H2,16,17,18,19).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea?
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea has a molecular weight of 289.40 g/mol, XLogP of 4.14, 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-cycloheptylurea is sourced from PubChem (CID 30264876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).