2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C20H22N4O5S2 — CID 25163693

IUPAC2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)n2)cc1OC
InChIInChI=1S/C20H22N4O5S2/c1-11-7-17(24-29-11)22-19(26)12(2)30-10-18(25)23-20-21-14(9-31-20)13-5-6-15(27-3)16(8-13)28-4/h5-9,12H,10H2,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyQMOXEXGLCCSQNM-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.82
Rot. Bonds9

About 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 25163693) has the molecular formula C20H22N4O5S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID25163693
Molecular FormulaC20H22N4O5S2
Molecular Weight462.55 g/mol
Exact Mass462.10
IUPAC Name2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)n2)cc1OC
InChIInChI=1S/C20H22N4O5S2/c1-11-7-17(24-29-11)22-19(26)12(2)30-10-18(25)23-20-21-14(9-31-20)13-5-6-15(27-3)16(8-13)28-4/h5-9,12H,10H2,1-4H3,(H,21,23,25)(H,22,24,26)
InChIKeyQMOXEXGLCCSQNM-UHFFFAOYSA-N
XLogP3.82
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 1092438
2-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 647817
2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 653724
1-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 2307751
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 2324567
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649214
4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-(5-methylisoxazol-3-yl)butanamide
CID 5080792
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8511739
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24686381
2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24979980
2-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36321840
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800713

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 25163693) is 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc(-c2csc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)n2)cc1OC.
What is the InChIKey of 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is QMOXEXGLCCSQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S2/c1-11-7-17(24-29-11)22-19(26)12(2)30-10-18(25)23-20-21-14(9-31-20)13-5-6-15(27-3)16(8-13)28-4/h5-9,12H,10H2,1-4H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 462.55 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 25163693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).