N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

C19H23N3O2S — CID 46493545

IUPACN-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C19H23N3O2S/c23-17-10-5-2-6-12-22(17)13-7-11-20-18(24)16-14-21-19(25-16)15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,20,24)
InChIKeyCCDGPAWPQGWIFM-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.33
Rot. Bonds6

About N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 46493545) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID46493545
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C19H23N3O2S/c23-17-10-5-2-6-12-22(17)13-7-11-20-18(24)16-14-21-19(25-16)15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,20,24)
InChIKeyCCDGPAWPQGWIFM-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.33
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 N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 46493545) is N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(NCCCN1CCCCCC1=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is CCDGPAWPQGWIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-17-10-5-2-6-12-22(17)13-7-11-20-18(24)16-14-21-19(25-16)15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,20,24).
What are the key properties of N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46493545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).