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

C6H9N3O2S — CID 71807133

IUPACN-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCO)n1
InChIInChI=1S/C6H9N3O2S/c1-4-8-6(12-9-4)5(11)7-2-3-10/h10H,2-3H2,1H3,(H,7,11)
InChIKeyVCFNRZJPTQCVRC-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.43
Rot. Bonds3

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

N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807133) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807133
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCO)n1
InChIInChI=1S/C6H9N3O2S/c1-4-8-6(12-9-4)5(11)7-2-3-10/h10H,2-3H2,1H3,(H,7,11)
InChIKeyVCFNRZJPTQCVRC-UHFFFAOYSA-N
XLogP-0.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807133) is N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCO)n1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is VCFNRZJPTQCVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-4-8-6(12-9-4)5(11)7-2-3-10/h10H,2-3H2,1H3,(H,7,11).
What are the key properties of N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 187.22 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).