N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide

C10H8Cl2N2OS — CID 2150740

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(Cl)ccc(Cl)c2s1
InChIInChI=1S/C10H8Cl2N2OS/c1-2-7(15)13-10-14-8-5(11)3-4-6(12)9(8)16-10/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyFZPPEQUCWWZHRP-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.95
Rot. Bonds2

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2150740) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
PubChem CID2150740
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(Cl)ccc(Cl)c2s1
InChIInChI=1S/C10H8Cl2N2OS/c1-2-7(15)13-10-14-8-5(11)3-4-6(12)9(8)16-10/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyFZPPEQUCWWZHRP-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362606
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320653
3-(4-chlorophenyl)sulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 41151675
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 16822993
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43988847
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
CID 18577011
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 4671583
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254754
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848238
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41322234

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide (CID 2150740) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide is CCC(=O)Nc1nc2c(Cl)ccc(Cl)c2s1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is FZPPEQUCWWZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c1-2-7(15)13-10-14-8-5(11)3-4-6(12)9(8)16-10/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 275.16 g/mol, XLogP of 3.95, 2 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)propanamide is sourced from PubChem (CID 2150740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).