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

C17H23N3O3S2 — CID 71843041

IUPAC1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
SMILESCC(C)S(=O)(=O)c1nc2ccc(NC(=O)NC3CCCCC3)cc2s1
InChIInChI=1S/C17H23N3O3S2/c1-11(2)25(22,23)17-20-14-9-8-13(10-15(14)24-17)19-16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,18,19,21)
InChIKeyZSOAYQAWERTIKD-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.93
Rot. Bonds4

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

1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea (PubChem CID 71843041) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
PubChem CID71843041
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
SMILESCC(C)S(=O)(=O)c1nc2ccc(NC(=O)NC3CCCCC3)cc2s1
InChIInChI=1S/C17H23N3O3S2/c1-11(2)25(22,23)17-20-14-9-8-13(10-15(14)24-17)19-16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,18,19,21)
InChIKeyZSOAYQAWERTIKD-UHFFFAOYSA-N
XLogP3.93
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83287784
1-(3-fluoro-4-methylphenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83288085
1-(2,6-difluorophenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843039
1-(2-methylphenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83289324
1-benzyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 71843036
1-(2,5-difluorophenyl)-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea
CID 83280696
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
CID 46385341
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
3-[(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)amino]propane-1,2-diol
CID 168595171

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea (CID 71843041) is 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea is CC(C)S(=O)(=O)c1nc2ccc(NC(=O)NC3CCCCC3)cc2s1.
What is the InChIKey of 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea?
The InChIKey is ZSOAYQAWERTIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-11(2)25(22,23)17-20-14-9-8-13(10-15(14)24-17)19-16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea?
1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea has a molecular weight of 381.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-propan-2-ylsulfonyl-1,3-benzothiazol-6-yl)urea is sourced from PubChem (CID 71843041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).