N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide

C13H15N3O2S — CID 71807108

IUPACN-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C13H15N3O2S/c1-10-14-12(19-15-10)13(18)16(7-8-17)9-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3
InChIKeyJSEWCMKCLHXXOH-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.48
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807108) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807108
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C13H15N3O2S/c1-10-14-12(19-15-10)13(18)16(7-8-17)9-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3
InChIKeyJSEWCMKCLHXXOH-UHFFFAOYSA-N
XLogP1.48
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dihydroisoquinolin-2(1H)-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807125
3-methyl-N-phenethyl-1,2,4-thiadiazole-5-carboxamide
CID 71807156
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159
N-(2,6-difluorobenzyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807165
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide
CID 138020971
N-[[4-(2-hydroxyethyl)phenyl]methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 138021073
1-[(4-Fluorophenyl)methyl]-5-imino-4-(3-methyl-1,2,4-thiadiazole-5-carboximidoyl)piperazin-2-one
CID 155227288
1-[(4-Fluorophenyl)methyl]-3-imino-4-(3-methyl-1,2,4-thiadiazole-5-carboximidoyl)piperazin-2-one
CID 155227400
N-(4-fluorobenzyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807148
N-(2,4-difluorobenzyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 92070659
N-(2-fluorobenzyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 92070661
2-[Benzyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305689

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807108) is N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)N(CCO)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is JSEWCMKCLHXXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-14-12(19-15-10)13(18)16(7-8-17)9-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).