2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide

C11H9ClN2OS2 — CID 676855

IUPAC2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2nccs2)c1
InChIInChI=1S/C11H9ClN2OS2/c1-16-7-2-3-9(12)8(6-7)10(15)14-11-13-4-5-17-11/h2-6H,1H3,(H,13,14,15)
InChIKeyIBSDYJWYXHNYHM-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.77
Rot. Bonds3

About 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide

2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 676855) has the molecular formula C11H9ClN2OS2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID676855
Molecular FormulaC11H9ClN2OS2
Molecular Weight284.79 g/mol
Exact Mass283.98
IUPAC Name2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2nccs2)c1
InChIInChI=1S/C11H9ClN2OS2/c1-16-7-2-3-9(12)8(6-7)10(15)14-11-13-4-5-17-11/h2-6H,1H3,(H,13,14,15)
InChIKeyIBSDYJWYXHNYHM-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 899301
2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
3-Chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 606795
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1241668
5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2463702
2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2523205
2-chloro-5-(morpholin-4-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
CID 1102161
5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 1247663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide (CID 676855) is 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide is CSc1ccc(Cl)c(C(=O)Nc2nccs2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IBSDYJWYXHNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS2/c1-16-7-2-3-9(12)8(6-7)10(15)14-11-13-4-5-17-11/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 284.79 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 676855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).