N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C25H26N4OS2 — CID 55375806

IUPACN-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CSc2nccn2-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C25H26N4OS2/c1-17(2)19-8-10-21(11-9-19)29-13-12-26-25(29)32-16-20-15-31-24(27-20)14-23(30)28-22-7-5-4-6-18(22)3/h4-13,15,17H,14,16H2,1-3H3,(H,28,30)
InChIKeyXOLIJOOUZBKUGP-UHFFFAOYSA-N
MW462.64 g/mol
LogP6.23
Rot. Bonds8

About N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 55375806) has the molecular formula C25H26N4OS2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID55375806
Molecular FormulaC25H26N4OS2
Molecular Weight462.64 g/mol
Exact Mass462.15
IUPAC NameN-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CSc2nccn2-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C25H26N4OS2/c1-17(2)19-8-10-21(11-9-19)29-13-12-26-25(29)32-16-20-15-31-24(27-20)14-23(30)28-22-7-5-4-6-18(22)3/h4-13,15,17H,14,16H2,1-3H3,(H,28,30)
InChIKeyXOLIJOOUZBKUGP-UHFFFAOYSA-N
XLogP6.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 55375806) is N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is Cc1ccccc1NC(=O)Cc1nc(CSc2nccn2-c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XOLIJOOUZBKUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS2/c1-17(2)19-8-10-21(11-9-19)29-13-12-26-25(29)32-16-20-15-31-24(27-20)14-23(30)28-22-7-5-4-6-18(22)3/h4-13,15,17H,14,16H2,1-3H3,(H,28,30).
What are the key properties of N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 462.64 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55375806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).