N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C11H10ClN3OS2 — CID 4799399

IUPACN-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nncs2)cc1Cl
InChIInChI=1S/C11H10ClN3OS2/c1-7-2-3-8(4-9(7)12)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyXIELXXVSZFNGEZ-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.23
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 4799399) has the molecular formula C11H10ClN3OS2 and a molecular weight of 299.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID4799399
Molecular FormulaC11H10ClN3OS2
Molecular Weight299.81 g/mol
Exact Mass299.00
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nncs2)cc1Cl
InChIInChI=1S/C11H10ClN3OS2/c1-7-2-3-8(4-9(7)12)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyXIELXXVSZFNGEZ-UHFFFAOYSA-N
XLogP3.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 4799399) is N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1ccc(NC(=O)CSc2nncs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is XIELXXVSZFNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS2/c1-7-2-3-8(4-9(7)12)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 299.81 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 4799399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).