1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea

C15H19N3OS — CID 47193596

IUPAC1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
SMILESCc1cc(C)c2nc(NC(=O)NC3CCCC3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-9-7-10(2)13-12(8-9)20-15(17-13)18-14(19)16-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyKZJALCUPRZCUSX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.98
Rot. Bonds2

About 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea

1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea (PubChem CID 47193596) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
PubChem CID47193596
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
SMILESCc1cc(C)c2nc(NC(=O)NC3CCCC3)sc2c1
InChIInChI=1S/C15H19N3OS/c1-9-7-10(2)13-12(8-9)20-15(17-13)18-14(19)16-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyKZJALCUPRZCUSX-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43989202
1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121082874
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
CID 121080787
1-(6-methyl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 110676110
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775960
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea (CID 47193596) is 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea is Cc1cc(C)c2nc(NC(=O)NC3CCCC3)sc2c1.
What is the InChIKey of 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
The InChIKey is KZJALCUPRZCUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-7-10(2)13-12(8-9)20-15(17-13)18-14(19)16-11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea has a molecular weight of 289.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 47193596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).