N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide

C18H17N3O4S — CID 1092966

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1
InChIInChI=1S/C18H17N3O4S/c1-11(22)19-12-3-8-15-16(9-12)26-18(20-15)21-17(23)10-25-14-6-4-13(24-2)5-7-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyNRBXPDYOMLIVHG-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.28
Rot. Bonds6

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 1092966) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID1092966
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1
InChIInChI=1S/C18H17N3O4S/c1-11(22)19-12-3-8-15-16(9-12)26-18(20-15)21-17(23)10-25-14-6-4-13(24-2)5-7-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyNRBXPDYOMLIVHG-UHFFFAOYSA-N
XLogP3.28
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Frentizole
CID 33334
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669
2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 4663110
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 8895574
Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
CID 234497
N-[2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazol-6-yl]acetamide
CID 7105772
2-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)phenoxy]-N-(benzothiazol-2-yl)acetamide (3i)
CID 46947464
N'-(1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
CID 951327
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 2090688
2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
CID 2121814

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide (CID 1092966) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is NRBXPDYOMLIVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11(22)19-12-3-8-15-16(9-12)26-18(20-15)21-17(23)10-25-14-6-4-13(24-2)5-7-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 371.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 1092966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).