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

C9H15N3O2S — CID 71807126

IUPACN-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)N(CCO)C(C)C)n1
InChIInChI=1S/C9H15N3O2S/c1-6(2)12(4-5-13)9(14)8-10-7(3)11-15-8/h6,13H,4-5H2,1-3H3
InChIKeyUQJUXRFUAJXSPG-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.69
Rot. Bonds4

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

N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807126) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807126
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)N(CCO)C(C)C)n1
InChIInChI=1S/C9H15N3O2S/c1-6(2)12(4-5-13)9(14)8-10-7(3)11-15-8/h6,13H,4-5H2,1-3H3
InChIKeyUQJUXRFUAJXSPG-UHFFFAOYSA-N
XLogP0.69
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide (CID 71807126) is N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)N(CCO)C(C)C)n1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is UQJUXRFUAJXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)12(4-5-13)9(14)8-10-7(3)11-15-8/h6,13H,4-5H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide?
N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).