2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide

C11H9ClN2OS2 — CID 107021003

IUPAC2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
SMILESCc1cnc(NC(=O)c2cc(S)ccc2Cl)s1
InChIInChI=1S/C11H9ClN2OS2/c1-6-5-13-11(17-6)14-10(15)8-4-7(16)2-3-9(8)12/h2-5,16H,1H3,(H,13,14,15)
InChIKeyMPDRLCKIEFXCEW-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.65
Rot. Bonds2

About 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide

2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide (PubChem CID 107021003) has the molecular formula C11H9ClN2OS2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
PubChem CID107021003
Molecular FormulaC11H9ClN2OS2
Molecular Weight284.79 g/mol
Exact Mass283.98
IUPAC Name2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
SMILESCc1cnc(NC(=O)c2cc(S)ccc2Cl)s1
InChIInChI=1S/C11H9ClN2OS2/c1-6-5-13-11(17-6)14-10(15)8-4-7(16)2-3-9(8)12/h2-5,16H,1H3,(H,13,14,15)
InChIKeyMPDRLCKIEFXCEW-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107024982
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide
CID 107587050
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
4-fluoro-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 103829649
4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47435879
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 49195493
5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 102704840
5-chloro-6-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62249389
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide (CID 107021003) is 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide is Cc1cnc(NC(=O)c2cc(S)ccc2Cl)s1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide?
The InChIKey is MPDRLCKIEFXCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS2/c1-6-5-13-11(17-6)14-10(15)8-4-7(16)2-3-9(8)12/h2-5,16H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide?
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide has a molecular weight of 284.79 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide is sourced from PubChem (CID 107021003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).