2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole

C20H26N4OS — CID 154565078

IUPAC2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole
SMILESCOCCn1nc(C2CCCC2)nc1CCCc1nc2ccccc2s1
InChIInChI=1S/C20H26N4OS/c1-25-14-13-24-18(22-20(23-24)15-7-2-3-8-15)11-6-12-19-21-16-9-4-5-10-17(16)26-19/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3
InChIKeyHCDSCCIVTPWLIM-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.37
Rot. Bonds8

About 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole

2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole (PubChem CID 154565078) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole
PubChem CID154565078
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole
SMILESCOCCn1nc(C2CCCC2)nc1CCCc1nc2ccccc2s1
InChIInChI=1S/C20H26N4OS/c1-25-14-13-24-18(22-20(23-24)15-7-2-3-8-15)11-6-12-19-21-16-9-4-5-10-17(16)26-19/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3
InChIKeyHCDSCCIVTPWLIM-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole with MolForge

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Related Compounds

1-[5-[3-(1,3-benzothiazol-2-yl)propyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]ethanol
CID 146046723
3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
6-[[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-1H-benzimidazole
CID 146039202
2-(1,3-benzothiazol-2-yl)ethyl cyclohexanecarboxylate
CID 78823092
O-methyl 4-(1,3-benzothiazol-2-yl)butanethioate
CID 88700050
2-[5-[4-(1,3-benzothiazol-2-yl)butyl]-1-butyl-1,2,4-triazol-3-yl]acetamide
CID 154823431
1-[3-(1,3-benzothiazol-2-yl)propyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941131
methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 18002644
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
CID 78774445
3-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 17408841
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole (CID 154565078) is 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole is COCCn1nc(C2CCCC2)nc1CCCc1nc2ccccc2s1.
What is the InChIKey of 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole?
The InChIKey is HCDSCCIVTPWLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-25-14-13-24-18(22-20(23-24)15-7-2-3-8-15)11-6-12-19-21-16-9-4-5-10-17(16)26-19/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3.
What are the key properties of 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole?
2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole has a molecular weight of 370.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-cyclopentyl-2-(2-methoxyethyl)-1,2,4-triazol-3-yl]propyl]-1,3-benzothiazole is sourced from PubChem (CID 154565078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).