5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide

C24H24N2O3S — CID 78821884

IUPAC5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C24H24N2O3S/c27-21-11-3-1-8-18(21)16-26(17-19-9-7-15-29-19)24(28)14-6-5-13-23-25-20-10-2-4-12-22(20)30-23/h1-4,7-12,15,27H,5-6,13-14,16-17H2
InChIKeyKEUGIAULYXXRCY-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.54
Rot. Bonds9

About 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide

5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide (PubChem CID 78821884) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide
PubChem CID78821884
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C24H24N2O3S/c27-21-11-3-1-8-18(21)16-26(17-19-9-7-15-29-19)24(28)14-6-5-13-23-25-20-10-2-4-12-22(20)30-23/h1-4,7-12,15,27H,5-6,13-14,16-17H2
InChIKeyKEUGIAULYXXRCY-UHFFFAOYSA-N
XLogP5.54
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 112761133
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75387529
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 134032585
4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide
CID 78783707
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 18002644
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2360405
4-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)butanamide
CID 78801574
(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide
CID 96518313
N-(1,3-benzothiazol-2-ylmethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 22110909
4-[[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56512435

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide (CID 78821884) is 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide is O=C(CCCCc1nc2ccccc2s1)N(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide?
The InChIKey is KEUGIAULYXXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-21-11-3-1-8-18(21)16-26(17-19-9-7-15-29-19)24(28)14-6-5-13-23-25-20-10-2-4-12-22(20)30-23/h1-4,7-12,15,27H,5-6,13-14,16-17H2.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide?
5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide has a molecular weight of 420.53 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]pentanamide is sourced from PubChem (CID 78821884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).