4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide

C12H19N3O2S — CID 102634095

IUPAC4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C12H19N3O2S/c1-3-8-11(18-14-13-8)12(17)15(2)9-6-4-5-7-10(9)16/h9-10,16H,3-7H2,1-2H3
InChIKeyGGMWKONVAPRRNS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.48
Rot. Bonds3

About 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide

4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 102634095) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide
PubChem CID102634095
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C12H19N3O2S/c1-3-8-11(18-14-13-8)12(17)15(2)9-6-4-5-7-10(9)16/h9-10,16H,3-7H2,1-2H3
InChIKeyGGMWKONVAPRRNS-UHFFFAOYSA-N
XLogP1.48
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.48
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-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide (CID 102634095) is 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)C1CCCCC1O.
What is the InChIKey of 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is GGMWKONVAPRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-8-11(18-14-13-8)12(17)15(2)9-6-4-5-7-10(9)16/h9-10,16H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide?
4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 102634095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).