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

C16H21N3OS — CID 121082874

IUPAC1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
SMILESCC(C)c1cccc2sc(NC(=O)NC3CCCC3)nc12
InChIInChI=1S/C16H21N3OS/c1-10(2)12-8-5-9-13-14(12)18-16(21-13)19-15(20)17-11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyVKOBCOHFQKKQMV-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.48
Rot. Bonds3

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

1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea (PubChem CID 121082874) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
PubChem CID121082874
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
SMILESCC(C)c1cccc2sc(NC(=O)NC3CCCC3)nc12
InChIInChI=1S/C16H21N3OS/c1-10(2)12-8-5-9-13-14(12)18-16(21-13)19-15(20)17-11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyVKOBCOHFQKKQMV-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-cyclohexylurea
CID 121080787
1-(3,4-dimethylphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081370
1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081369
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
1-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 121082867
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081368

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea (CID 121082874) is 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea is CC(C)c1cccc2sc(NC(=O)NC3CCCC3)nc12.
What is the InChIKey of 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea?
The InChIKey is VKOBCOHFQKKQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10(2)12-8-5-9-13-14(12)18-16(21-13)19-15(20)17-11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea?
1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea has a molecular weight of 303.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 121082874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).