3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

C15H10Cl2N2OS2 — CID 43952428

IUPAC3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2s1
InChIInChI=1S/C15H10Cl2N2OS2/c1-21-15-19-12-3-2-11(7-13(12)22-15)18-14(20)8-4-9(16)6-10(17)5-8/h2-7H,1H3,(H,18,20)
InChIKeyPFCAVJHHRWBTRV-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.58
Rot. Bonds3

About 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 43952428) has the molecular formula C15H10Cl2N2OS2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID43952428
Molecular FormulaC15H10Cl2N2OS2
Molecular Weight369.30 g/mol
Exact Mass367.96
IUPAC Name3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2s1
InChIInChI=1S/C15H10Cl2N2OS2/c1-21-15-19-12-3-2-11(7-13(12)22-15)18-14(20)8-4-9(16)6-10(17)5-8/h2-7H,1H3,(H,18,20)
InChIKeyPFCAVJHHRWBTRV-UHFFFAOYSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.30
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
5-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 79692948
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23965445
5-bromo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 62954057
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 31896611
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
3-chloro-N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
CID 3772379
4-fluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36997181
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
5-bromo-4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 79987558
4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiadiazole-5-carboxamide
CID 43952417
N-[(3,5-dichlorophenyl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 60788689

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide (CID 43952428) is 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide is CSc1nc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2s1.
What is the InChIKey of 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is PFCAVJHHRWBTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS2/c1-21-15-19-12-3-2-11(7-13(12)22-15)18-14(20)8-4-9(16)6-10(17)5-8/h2-7H,1H3,(H,18,20).
What are the key properties of 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 369.30 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 43952428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).