N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

C25H21N5O2S2 — CID 55776030

IUPACN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCn1ccnc1-c1sc(NC(=O)CSCc2coc(-c3ccccc3)n2)nc1-c1ccccc1
InChIInChI=1S/C25H21N5O2S2/c1-30-13-12-26-23(30)22-21(17-8-4-2-5-9-17)29-25(34-22)28-20(31)16-33-15-19-14-32-24(27-19)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,28,29,31)
InChIKeyRICSDYQSIJQTHP-UHFFFAOYSA-N
MW487.61 g/mol
LogP5.74
Rot. Bonds8

About N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (PubChem CID 55776030) has the molecular formula C25H21N5O2S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
PubChem CID55776030
Molecular FormulaC25H21N5O2S2
Molecular Weight487.61 g/mol
Exact Mass487.11
IUPAC NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
SMILESCn1ccnc1-c1sc(NC(=O)CSCc2coc(-c3ccccc3)n2)nc1-c1ccccc1
InChIInChI=1S/C25H21N5O2S2/c1-30-13-12-26-23(30)22-21(17-8-4-2-5-9-17)29-25(34-22)28-20(31)16-33-15-19-14-32-24(27-19)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,28,29,31)
InChIKeyRICSDYQSIJQTHP-UHFFFAOYSA-N
XLogP5.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide (CID 55776030) is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is Cn1ccnc1-c1sc(NC(=O)CSCc2coc(-c3ccccc3)n2)nc1-c1ccccc1.
What is the InChIKey of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is RICSDYQSIJQTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S2/c1-30-13-12-26-23(30)22-21(17-8-4-2-5-9-17)29-25(34-22)28-20(31)16-33-15-19-14-32-24(27-19)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,28,29,31).
What are the key properties of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide?
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 487.61 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55776030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).