N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C17H13N3O2S3 — CID 51217663

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cc3csc(-c4ccsc4)n3)nc12
InChIInChI=1S/C17H13N3O2S3/c1-22-12-3-2-4-13-15(12)20-17(25-13)19-14(21)7-11-9-24-16(18-11)10-5-6-23-8-10/h2-6,8-9H,7H2,1H3,(H,19,20,21)
InChIKeyQGQIUUGPKYEBPH-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.67
Rot. Bonds5

About N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 51217663) has the molecular formula C17H13N3O2S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID51217663
Molecular FormulaC17H13N3O2S3
Molecular Weight387.51 g/mol
Exact Mass387.02
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cccc2sc(NC(=O)Cc3csc(-c4ccsc4)n3)nc12
InChIInChI=1S/C17H13N3O2S3/c1-22-12-3-2-4-13-15(12)20-17(25-13)19-14(21)7-11-9-24-16(18-11)10-5-6-23-8-10/h2-6,8-9H,7H2,1H3,(H,19,20,21)
InChIKeyQGQIUUGPKYEBPH-UHFFFAOYSA-N
XLogP4.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51231604
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-(2-propan-2-yloxyphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 38999275
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35204280
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46651422
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27760643
N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26643826
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
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(4-methoxy-1,3-benzothiazol-2-yl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 51217663) is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is COc1cccc2sc(NC(=O)Cc3csc(-c4ccsc4)n3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QGQIUUGPKYEBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S3/c1-22-12-3-2-4-13-15(12)20-17(25-13)19-14(21)7-11-9-24-16(18-11)10-5-6-23-8-10/h2-6,8-9H,7H2,1H3,(H,19,20,21).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 51217663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).