5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide

C15H15N3OS2 — CID 18192870

IUPAC5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)Nc1nccs1
InChIInChI=1S/C15H15N3OS2/c19-13(18-15-16-9-10-20-15)7-3-4-8-14-17-11-5-1-2-6-12(11)21-14/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,18,19)
InChIKeyMWEYJALQCUXOBL-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.10
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide

5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 18192870) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID18192870
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)Nc1nccs1
InChIInChI=1S/C15H15N3OS2/c19-13(18-15-16-9-10-20-15)7-3-4-8-14-17-11-5-1-2-6-12(11)21-14/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,18,19)
InChIKeyMWEYJALQCUXOBL-UHFFFAOYSA-N
XLogP4.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.10
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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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86896980
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 18002644
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide
CID 51258091
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide (CID 18192870) is 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide is O=C(CCCCc1nc2ccccc2s1)Nc1nccs1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is MWEYJALQCUXOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c19-13(18-15-16-9-10-20-15)7-3-4-8-14-17-11-5-1-2-6-12(11)21-14/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,18,19).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide?
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 317.44 g/mol, XLogP of 4.10, 6 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-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 18192870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).