N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide

C17H11ClN2OS3 — CID 41341043

IUPACN-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1sccc1-c1nc2ccccc2s1
InChIInChI=1S/C17H11ClN2OS3/c18-14-6-5-10(23-14)9-15(21)20-16-11(7-8-22-16)17-19-12-3-1-2-4-13(12)24-17/h1-8H,9H2,(H,20,21)
InChIKeyCNZAIXZKEJCINZ-UHFFFAOYSA-N
MW390.94 g/mol
LogP5.92
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide

N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide (PubChem CID 41341043) has the molecular formula C17H11ClN2OS3 and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide
PubChem CID41341043
Molecular FormulaC17H11ClN2OS3
Molecular Weight390.94 g/mol
Exact Mass389.97
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1sccc1-c1nc2ccccc2s1
InChIInChI=1S/C17H11ClN2OS3/c18-14-6-5-10(23-14)9-15(21)20-16-11(7-8-22-16)17-19-12-3-1-2-4-13(12)24-17/h1-8H,9H2,(H,20,21)
InChIKeyCNZAIXZKEJCINZ-UHFFFAOYSA-N
XLogP5.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.94
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide
CID 41340366
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 44949720
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9117027
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2,6-difluorobenzamide
CID 44949763
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 44949831
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952292
(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide
CID 51696287
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-chloro-2-fluorobenzenesulfonamide
CID 45273143
N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 78821067
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16563446
ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 44949735
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 62276693

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide (CID 41341043) is N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide is O=C(Cc1ccc(Cl)s1)Nc1sccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide?
The InChIKey is CNZAIXZKEJCINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2OS3/c18-14-6-5-10(23-14)9-15(21)20-16-11(7-8-22-16)17-19-12-3-1-2-4-13(12)24-17/h1-8H,9H2,(H,20,21).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide?
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide has a molecular weight of 390.94 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide is sourced from PubChem (CID 41341043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).