N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

C11H10ClN3OS — CID 71807147

IUPACN-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C11H10ClN3OS/c1-7-14-11(17-15-7)10(16)13-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,16)
InChIKeyXSVHSNFICZHZDB-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.43
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807147) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807147
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCc2ccccc2Cl)n1
InChIInChI=1S/C11H10ClN3OS/c1-7-14-11(17-15-7)10(16)13-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,16)
InChIKeyXSVHSNFICZHZDB-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807147) is N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is XSVHSNFICZHZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7-14-11(17-15-7)10(16)13-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).