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

C13H15N3O2S — CID 138021073

IUPACN-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-15-13(19-16-9)12(18)14-8-11-4-2-10(3-5-11)6-7-17/h2-5,17H,6-8H2,1H3,(H,14,18)
InChIKeyZPTQDXQIZCUSSY-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.31
Rot. Bonds5

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

N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 138021073) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID138021073
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-15-13(19-16-9)12(18)14-8-11-4-2-10(3-5-11)6-7-17/h2-5,17H,6-8H2,1H3,(H,14,18)
InChIKeyZPTQDXQIZCUSSY-UHFFFAOYSA-N
XLogP1.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 138021073) is N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCc2ccc(CCO)cc2)n1.
What is the InChIKey of N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is ZPTQDXQIZCUSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-15-13(19-16-9)12(18)14-8-11-4-2-10(3-5-11)6-7-17/h2-5,17H,6-8H2,1H3,(H,14,18).
What are the key properties of N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 138021073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).