N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C23H23N5O2S2 — CID 41425378

IUPACN-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1N(C(C)=O)c1nc(CSc2nnc(C)n2-c2ccccc2C)cs1
InChIInChI=1S/C23H23N5O2S2/c1-15-9-5-6-10-19(15)27-16(2)25-26-23(27)32-14-18-13-31-22(24-18)28(17(3)29)20-11-7-8-12-21(20)30-4/h5-13H,14H2,1-4H3
InChIKeyMJOQRDCWKIQMNT-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.33
Rot. Bonds7

About N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 41425378) has the molecular formula C23H23N5O2S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-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-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID41425378
Molecular FormulaC23H23N5O2S2
Molecular Weight465.60 g/mol
Exact Mass465.13
IUPAC NameN-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1N(C(C)=O)c1nc(CSc2nnc(C)n2-c2ccccc2C)cs1
InChIInChI=1S/C23H23N5O2S2/c1-15-9-5-6-10-19(15)27-16(2)25-26-23(27)32-14-18-13-31-22(24-18)28(17(3)29)20-11-7-8-12-21(20)30-4/h5-13H,14H2,1-4H3
InChIKeyMJOQRDCWKIQMNT-UHFFFAOYSA-N
XLogP5.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-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-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 41425378) is N-(2-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is COc1ccccc1N(C(C)=O)c1nc(CSc2nnc(C)n2-c2ccccc2C)cs1.
What is the InChIKey of N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MJOQRDCWKIQMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S2/c1-15-9-5-6-10-19(15)27-16(2)25-26-23(27)32-14-18-13-31-22(24-18)28(17(3)29)20-11-7-8-12-21(20)30-4/h5-13H,14H2,1-4H3.
What are the key properties of N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(2-methoxyphenyl)-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 465.60 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-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 41425378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).