N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

C9H15N3O2S — CID 60740134

IUPACN,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CC)CCO
InChIInChI=1S/C9H15N3O2S/c1-3-7-8(15-11-10-7)9(14)12(4-2)5-6-13/h13H,3-6H2,1-2H3
InChIKeyIXCLVHDAWMFGJM-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.55
Rot. Bonds5

About N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (PubChem CID 60740134) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
PubChem CID60740134
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CC)CCO
InChIInChI=1S/C9H15N3O2S/c1-3-7-8(15-11-10-7)9(14)12(4-2)5-6-13/h13H,3-6H2,1-2H3
InChIKeyIXCLVHDAWMFGJM-UHFFFAOYSA-N
XLogP0.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The IUPAC name of N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (CID 60740134) is N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(CC)CCO.
What is the InChIKey of N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The InChIKey is IXCLVHDAWMFGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-7-8(15-11-10-7)9(14)12(4-2)5-6-13/h13H,3-6H2,1-2H3.
What are the key properties of N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 60740134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).