N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide

C18H16Cl2N2OS — CID 41362606

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C18H16Cl2N2OS/c1-10(2)12-5-3-11(4-6-12)9-15(23)21-18-22-16-13(19)7-8-14(20)17(16)24-18/h3-8,10H,9H2,1-2H3,(H,21,22,23)
InChIKeyLYZQPHYRVMXLQH-UHFFFAOYSA-N
MW379.31 g/mol
LogP5.91
Rot. Bonds4

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 41362606) has the molecular formula C18H16Cl2N2OS and a molecular weight of 379.31 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
PubChem CID41362606
Molecular FormulaC18H16Cl2N2OS
Molecular Weight379.31 g/mol
Exact Mass378.04
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C18H16Cl2N2OS/c1-10(2)12-5-3-11(4-6-12)9-15(23)21-18-22-16-13(19)7-8-14(20)17(16)24-18/h3-8,10H,9H2,1-2H3,(H,21,22,23)
InChIKeyLYZQPHYRVMXLQH-UHFFFAOYSA-N
XLogP5.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.31
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 2150740
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848238
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849484
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320653
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951199
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362715
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
CID 18586778
3-(4-chlorophenyl)sulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 41151675
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide (CID 41362606) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is LYZQPHYRVMXLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2OS/c1-10(2)12-5-3-11(4-6-12)9-15(23)21-18-22-16-13(19)7-8-14(20)17(16)24-18/h3-8,10H,9H2,1-2H3,(H,21,22,23).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 379.31 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 41362606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).