5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide

C23H29N3O3S — CID 55454179

IUPAC5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide
SMILESCc1ccc(C(CNC(=O)CCCCc2nc3ccccc3s2)N2CCOCC2)o1
InChIInChI=1S/C23H29N3O3S/c1-17-10-11-20(29-17)19(26-12-14-28-15-13-26)16-24-22(27)8-4-5-9-23-25-18-6-2-3-7-21(18)30-23/h2-3,6-7,10-11,19H,4-5,8-9,12-16H2,1H3,(H,24,27)
InChIKeyWUIUISVFEUZNQK-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.10
Rot. Bonds9

About 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide

5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide (PubChem CID 55454179) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide
PubChem CID55454179
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide
SMILESCc1ccc(C(CNC(=O)CCCCc2nc3ccccc3s2)N2CCOCC2)o1
InChIInChI=1S/C23H29N3O3S/c1-17-10-11-20(29-17)19(26-12-14-28-15-13-26)16-24-22(27)8-4-5-9-23-25-18-6-2-3-7-21(18)30-23/h2-3,6-7,10-11,19H,4-5,8-9,12-16H2,1H3,(H,24,27)
InChIKeyWUIUISVFEUZNQK-UHFFFAOYSA-N
XLogP4.10
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide
CID 37248589
(E)-3-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 134045662
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137301546
5-(1,3-benzothiazol-2-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pentanamide
CID 9481603
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
CID 134056195
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
CID 26006499
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
4-(1,3-benzothiazol-2-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27887204

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide (CID 55454179) is 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide is Cc1ccc(C(CNC(=O)CCCCc2nc3ccccc3s2)N2CCOCC2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide?
The InChIKey is WUIUISVFEUZNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-17-10-11-20(29-17)19(26-12-14-28-15-13-26)16-24-22(27)8-4-5-9-23-25-18-6-2-3-7-21(18)30-23/h2-3,6-7,10-11,19H,4-5,8-9,12-16H2,1H3,(H,24,27).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide?
5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide has a molecular weight of 427.57 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide is sourced from PubChem (CID 55454179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).