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

C24H24ClN5OS2 — CID 41425379

IUPACN-(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
SMILESCC(=O)N(c1nc(CSc2nnc(C)n2-c2ccccc2C)cs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C24H24ClN5OS2/c1-14-10-16(3)22(20(25)11-14)30(18(5)31)23-26-19(12-32-23)13-33-24-28-27-17(4)29(24)21-9-7-6-8-15(21)2/h6-12H,13H2,1-5H3
InChIKeyFVJDQERQQPRWFX-UHFFFAOYSA-N
MW498.08 g/mol
LogP6.59
Rot. Bonds6

About 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

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 (PubChem CID 41425379) has the molecular formula C24H24ClN5OS2 and a molecular weight of 498.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID41425379
Molecular FormulaC24H24ClN5OS2
Molecular Weight498.08 g/mol
Exact Mass497.11
IUPAC NameN-(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
SMILESCC(=O)N(c1nc(CSc2nnc(C)n2-c2ccccc2C)cs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C24H24ClN5OS2/c1-14-10-16(3)22(20(25)11-14)30(18(5)31)23-26-19(12-32-23)13-33-24-28-27-17(4)29(24)21-9-7-6-8-15(21)2/h6-12H,13H2,1-5H3
InChIKeyFVJDQERQQPRWFX-UHFFFAOYSA-N
XLogP6.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.08
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 41425378
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 46815768
2-(2-chlorophenyl)-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 40550255
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-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38846667
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-(3-methylphenyl)-N-[4-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 24584872
N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 24579027
N-[4-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 42985287
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N(c1nc(CSc2nnc(C)n2-c2ccccc2C)cs1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 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?
The InChIKey is FVJDQERQQPRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5OS2/c1-14-10-16(3)22(20(25)11-14)30(18(5)31)23-26-19(12-32-23)13-33-24-28-27-17(4)29(24)21-9-7-6-8-15(21)2/h6-12H,13H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 498.08 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 41425379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).