N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C25H24N4OS2 — CID 24591525

IUPACN-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(CSc2ncc(-c3ccccc3)n2C2CC2)cs1
InChIInChI=1S/C25H24N4OS2/c1-17-7-6-10-22(13-17)28(18(2)30)25-27-20(16-32-25)15-31-24-26-14-23(29(24)21-11-12-21)19-8-4-3-5-9-19/h3-10,13-14,16,21H,11-12,15H2,1-2H3
InChIKeyNCEJZPUJCSHVOR-UHFFFAOYSA-N
MW460.63 g/mol
LogP6.63
Rot. Bonds7

About N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 24591525) has the molecular formula C25H24N4OS2 and a molecular weight of 460.63 g/mol. Its IUPAC name is N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID24591525
Molecular FormulaC25H24N4OS2
Molecular Weight460.63 g/mol
Exact Mass460.14
IUPAC NameN-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(CSc2ncc(-c3ccccc3)n2C2CC2)cs1
InChIInChI=1S/C25H24N4OS2/c1-17-7-6-10-22(13-17)28(18(2)30)25-27-20(16-32-25)15-31-24-26-14-23(29(24)21-11-12-21)19-8-4-3-5-9-19/h3-10,13-14,16,21H,11-12,15H2,1-2H3
InChIKeyNCEJZPUJCSHVOR-UHFFFAOYSA-N
XLogP6.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 24591525) is N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is CC(=O)N(c1cccc(C)c1)c1nc(CSc2ncc(-c3ccccc3)n2C2CC2)cs1.
What is the InChIKey of N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is NCEJZPUJCSHVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS2/c1-17-7-6-10-22(13-17)28(18(2)30)25-27-20(16-32-25)15-31-24-26-14-23(29(24)21-11-12-21)19-8-4-3-5-9-19/h3-10,13-14,16,21H,11-12,15H2,1-2H3.
What are the key properties of N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 460.63 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 24591525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).