5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide

C13H24N4O2S — CID 80617445

IUPAC5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CCOC)C(CC)CC)s1
InChIInChI=1S/C13H24N4O2S/c1-5-10(6-2)17(8-9-19-4)12(18)11-15-16-13(20-11)14-7-3/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyJFCPOYYNBKURIN-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.25
Rot. Bonds9

About 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617445) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617445
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CCOC)C(CC)CC)s1
InChIInChI=1S/C13H24N4O2S/c1-5-10(6-2)17(8-9-19-4)12(18)11-15-16-13(20-11)14-7-3/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyJFCPOYYNBKURIN-UHFFFAOYSA-N
XLogP2.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide (CID 80617445) is 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(CCOC)C(CC)CC)s1.
What is the InChIKey of 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JFCPOYYNBKURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-10(6-2)17(8-9-19-4)12(18)11-15-16-13(20-11)14-7-3/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).