4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide

C10H17N3O2S — CID 79382432

IUPAC4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C10H17N3O2S/c1-5-7-8(16-12-11-7)9(14)13(4)6-10(2,3)15/h15H,5-6H2,1-4H3
InChIKeyWOKCONDQTXIVEQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.94
Rot. Bonds4

About 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide

4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 79382432) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
PubChem CID79382432
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C10H17N3O2S/c1-5-7-8(16-12-11-7)9(14)13(4)6-10(2,3)15/h15H,5-6H2,1-4H3
InChIKeyWOKCONDQTXIVEQ-UHFFFAOYSA-N
XLogP0.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide (CID 79382432) is 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is WOKCONDQTXIVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5-7-8(16-12-11-7)9(14)13(4)6-10(2,3)15/h15H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide?
4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 79382432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).