1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea

C15H19N3O2S — CID 56592932

IUPAC1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc12
InChIInChI=1S/C15H19N3O2S/c1-9-7-8-11(20-2)12-13(9)21-15(17-12)18-14(19)16-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyVMKACTCQIHEMKP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.68
Rot. Bonds3

About 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea

1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea (PubChem CID 56592932) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
PubChem CID56592932
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc12
InChIInChI=1S/C15H19N3O2S/c1-9-7-8-11(20-2)12-13(9)21-15(17-12)18-14(19)16-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyVMKACTCQIHEMKP-UHFFFAOYSA-N
XLogP3.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
1-(3,5-dimethylphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081034
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 10172866
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081028
2-butyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 56592918
3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24627533
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43994655
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 56592906
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea (CID 56592932) is 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea is COc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc12.
What is the InChIKey of 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea?
The InChIKey is VMKACTCQIHEMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-7-8-11(20-2)12-13(9)21-15(17-12)18-14(19)16-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea?
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea has a molecular weight of 305.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 56592932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).