2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

C22H24N4O2S2 — CID 38214678

IUPAC2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C22H24N4O2S2/c1-15-8-10-16(11-9-15)18-14-30-22(24-18)25-21(28)13-26(2)12-20(27)23-17-6-4-5-7-19(17)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,28)
InChIKeyJCSIIOXKTOCHLH-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.35
Rot. Bonds8

About 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 38214678) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID38214678
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC Name2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C22H24N4O2S2/c1-15-8-10-16(11-9-15)18-14-30-22(24-18)25-21(28)13-26(2)12-20(27)23-17-6-4-5-7-19(17)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,28)
InChIKeyJCSIIOXKTOCHLH-UHFFFAOYSA-N
XLogP4.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 24560992
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428
2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22196371
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 41158657
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenoxy)ethyl-methylamino]acetamide
CID 55846895
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121050608
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820378

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide (CID 38214678) is 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is JCSIIOXKTOCHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-15-8-10-16(11-9-15)18-14-30-22(24-18)25-21(28)13-26(2)12-20(27)23-17-6-4-5-7-19(17)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,28).
What are the key properties of 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 440.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 38214678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).