N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C24H23ClN4OS2 — CID 46815768

IUPACN-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CSc2ncc(-c3ccccc3)n2C)cs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C24H23ClN4OS2/c1-15-10-16(2)22(20(25)11-15)29(17(3)30)24-27-19(14-32-24)13-31-23-26-12-21(28(23)4)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3
InChIKeyHQVZPNYKWMPVLC-UHFFFAOYSA-N
MW483.06 g/mol
LogP6.79
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 46815768) has the molecular formula C24H23ClN4OS2 and a molecular weight of 483.06 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID46815768
Molecular FormulaC24H23ClN4OS2
Molecular Weight483.06 g/mol
Exact Mass482.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CSc2ncc(-c3ccccc3)n2C)cs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C24H23ClN4OS2/c1-15-10-16(2)22(20(25)11-15)29(17(3)30)24-27-19(14-32-24)13-31-23-26-12-21(28(23)4)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3
InChIKeyHQVZPNYKWMPVLC-UHFFFAOYSA-N
XLogP6.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.06
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 46543438
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 41425379
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38846667
N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24591525
N-[4-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16600399
N-[4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 31988982
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38861852
N-[4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8907868
[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-methylbenzoate
CID 55313658
N-[4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 112778447
[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(methylamino)benzoate
CID 16596147
N-(3-methylphenyl)-N-[4-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 24584872

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 46815768) is N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CSc2ncc(-c3ccccc3)n2C)cs1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HQVZPNYKWMPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4OS2/c1-15-10-16(2)22(20(25)11-15)29(17(3)30)24-27-19(14-32-24)13-31-23-26-12-21(28(23)4)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 483.06 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46815768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).