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

C8H13N3O3S — CID 71807136

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCOCCO)n1
InChIInChI=1S/C8H13N3O3S/c1-6-10-8(15-11-6)7(13)9-2-4-14-5-3-12/h12H,2-5H2,1H3,(H,9,13)
InChIKeyUPANYIUUEMUMRC-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.41
Rot. Bonds6

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

N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807136) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807136
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCOCCO)n1
InChIInChI=1S/C8H13N3O3S/c1-6-10-8(15-11-6)7(13)9-2-4-14-5-3-12/h12H,2-5H2,1H3,(H,9,13)
InChIKeyUPANYIUUEMUMRC-UHFFFAOYSA-N
XLogP-0.41
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807136) is N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCOCCO)n1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is UPANYIUUEMUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-6-10-8(15-11-6)7(13)9-2-4-14-5-3-12/h12H,2-5H2,1H3,(H,9,13).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 231.28 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).