7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide

C22H24N2OS2 — CID 54374402

IUPAC7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide
SMILESNC(=O)CCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C22H24N2OS2/c23-19(25)15-9-1-2-10-16-26-22-24-20(17-11-5-3-6-12-17)21(27-22)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,23,25)
InChIKeyUVLQAQVPMFWYFP-UHFFFAOYSA-N
MW396.58 g/mol
LogP6.01
Rot. Bonds10

About 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide

7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide (PubChem CID 54374402) has the molecular formula C22H24N2OS2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide.

Molecular Properties

Compound Name7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide
PubChem CID54374402
Molecular FormulaC22H24N2OS2
Molecular Weight396.58 g/mol
Exact Mass396.13
IUPAC Name7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide
SMILESNC(=O)CCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C22H24N2OS2/c23-19(25)15-9-1-2-10-16-26-22-24-20(17-11-5-3-6-12-17)21(27-22)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,23,25)
InChIKeyUVLQAQVPMFWYFP-UHFFFAOYSA-N
XLogP6.01
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide?
The IUPAC name of 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide (CID 54374402) is 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide.
What is the SMILES notation for 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide?
The canonical SMILES for 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide is NC(=O)CCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide?
The InChIKey is UVLQAQVPMFWYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS2/c23-19(25)15-9-1-2-10-16-26-22-24-20(17-11-5-3-6-12-17)21(27-22)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,23,25).
What are the key properties of 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide?
7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide has a molecular weight of 396.58 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide is sourced from PubChem (CID 54374402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).