1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea

C17H24N4OS — CID 91511220

IUPAC1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCC(C)N1CCNC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H24N4OS/c1-12-6-5-7-13(2)21(12)11-10-18-16(22)20-17-19-14-8-3-4-9-15(14)23-17/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,19,20,22)
InChIKeyYNEFENZPADDXFN-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.68
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea

1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea (PubChem CID 91511220) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
PubChem CID91511220
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCC(C)N1CCNC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H24N4OS/c1-12-6-5-7-13(2)21(12)11-10-18-16(22)20-17-19-14-8-3-4-9-15(14)23-17/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,19,20,22)
InChIKeyYNEFENZPADDXFN-UHFFFAOYSA-N
XLogP3.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
CID 38231768
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CID 27190983
1-(1,3-benzothiazol-2-yl)-3-octylurea
CID 5018517
1-(1,3-benzothiazol-2-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47018268
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902621
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110912916
1-(1,3-benzothiazol-2-yl)-3-(3-triethoxysilylpropyl)urea
CID 59228635
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
1-(1,3-benzothiazol-2-yl)-3-[2-[butan-2-yl(methyl)amino]ethyl]urea
CID 51135284
1-(1,3-benzothiazol-2-yl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 41328325

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea (CID 91511220) is 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea is CC1CCCC(C)N1CCNC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea?
The InChIKey is YNEFENZPADDXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-6-5-7-13(2)21(12)11-10-18-16(22)20-17-19-14-8-3-4-9-15(14)23-17/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea?
1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea has a molecular weight of 332.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 91511220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).