N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide

C18H15N3O2S — CID 51002652

IUPACN-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(NC(C)=O)cc3)cn12
InChIInChI=1S/C18H15N3O2S/c1-11(22)19-13-5-3-12(4-6-13)15-10-21-16-8-7-14(23-2)9-17(16)24-18(21)20-15/h3-10H,1-2H3,(H,19,22)
InChIKeyAPNSZRZOHZSHII-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.18
Rot. Bonds3

About N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide

N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide (PubChem CID 51002652) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide
PubChem CID51002652
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(NC(C)=O)cc3)cn12
InChIInChI=1S/C18H15N3O2S/c1-11(22)19-13-5-3-12(4-6-13)15-10-21-16-8-7-14(23-2)9-17(16)24-18(21)20-15/h3-10H,1-2H3,(H,19,22)
InChIKeyAPNSZRZOHZSHII-UHFFFAOYSA-N
XLogP4.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide (CID 51002652) is N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide is COc1ccc2c(c1)sc1nc(-c3ccc(NC(C)=O)cc3)cn12.
What is the InChIKey of N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is APNSZRZOHZSHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-11(22)19-13-5-3-12(4-6-13)15-10-21-16-8-7-14(23-2)9-17(16)24-18(21)20-15/h3-10H,1-2H3,(H,19,22).
What are the key properties of N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide?
N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 337.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 51002652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).