4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide

C18H24N4O3S — CID 46358838

IUPAC4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C18H24N4O3S/c1-2-25-13-5-8-19-18(24)22-11-9-21(10-12-22)17(23)16-14-6-3-4-7-15(14)26-20-16/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,24)
InChIKeyRLOKFLKGQQTCOD-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.19
Rot. Bonds6

About 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide

4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide (PubChem CID 46358838) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
PubChem CID46358838
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
SMILESCCOCCCNC(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C18H24N4O3S/c1-2-25-13-5-8-19-18(24)22-11-9-21(10-12-22)17(23)16-14-6-3-4-7-15(14)26-20-16/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,24)
InChIKeyRLOKFLKGQQTCOD-UHFFFAOYSA-N
XLogP2.19
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide (CID 46358838) is 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide is CCOCCCNC(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1.
What is the InChIKey of 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide?
The InChIKey is RLOKFLKGQQTCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-2-25-13-5-8-19-18(24)22-11-9-21(10-12-22)17(23)16-14-6-3-4-7-15(14)26-20-16/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,24).
What are the key properties of 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide?
4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzothiazole-3-carbonyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 46358838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).