2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H18N4O4S2 — CID 24981616

IUPAC2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C17H18N4O4S2/c1-9-6-14(21-25-9)19-16(23)10(2)26-8-15(22)20-17-18-12-5-4-11(24-3)7-13(12)27-17/h4-7,10H,8H2,1-3H3,(H,18,20,22)(H,19,21,23)
InChIKeyOSVMGQWULLWCNK-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.30
Rot. Bonds7

About 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 24981616) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID24981616
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC Name2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)sc2c1
InChIInChI=1S/C17H18N4O4S2/c1-9-6-14(21-25-9)19-16(23)10(2)26-8-15(22)20-17-18-12-5-4-11(24-3)7-13(12)27-17/h4-7,10H,8H2,1-3H3,(H,18,20,22)(H,19,21,23)
InChIKeyOSVMGQWULLWCNK-UHFFFAOYSA-N
XLogP3.30
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 4101591
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649132
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1585282
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2166682
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-hydroxy-6-propyl-2-pyrimidinyl)thio]acetamide
CID 135439047
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861215
2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655194
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 837302
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1035312
N-(6-Methoxy-benzothiazol-2-yl)-2-(3-methylsulfanyl-[1,2,4]thiadiazol-5-ylsulfanyl)-acetamide
CID 1967369
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide
CID 2082407

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 24981616) is 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc2nc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)sc2c1.
What is the InChIKey of 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is OSVMGQWULLWCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-9-6-14(21-25-9)19-16(23)10(2)26-8-15(22)20-17-18-12-5-4-11(24-3)7-13(12)27-17/h4-7,10H,8H2,1-3H3,(H,18,20,22)(H,19,21,23).
What are the key properties of 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 406.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 24981616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).