N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide

C9H15N3O2S — CID 61066554

IUPACN-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1csnn1
InChIInChI=1S/C9H15N3O2S/c1-2-3-4-12(5-6-13)9(14)8-7-15-11-10-8/h7,13H,2-6H2,1H3
InChIKeyFEBGLURDDYIFEA-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.77
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide

N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide (PubChem CID 61066554) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
PubChem CID61066554
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
SMILESCCCCN(CCO)C(=O)c1csnn1
InChIInChI=1S/C9H15N3O2S/c1-2-3-4-12(5-6-13)9(14)8-7-15-11-10-8/h7,13H,2-6H2,1H3
InChIKeyFEBGLURDDYIFEA-UHFFFAOYSA-N
XLogP0.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide (CID 61066554) is N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide is CCCCN(CCO)C(=O)c1csnn1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide?
The InChIKey is FEBGLURDDYIFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-3-4-12(5-6-13)9(14)8-7-15-11-10-8/h7,13H,2-6H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide?
N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 61066554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).