5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

C13H23N5OS — CID 80616290

IUPAC5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)C2CCN(CC)CC2)s1
InChIInChI=1S/C13H23N5OS/c1-4-14-13-16-15-11(20-13)12(19)17(3)10-6-8-18(5-2)9-7-10/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyLMBLTMRIPJYZMZ-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.53
Rot. Bonds5

About 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616290) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616290
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)C2CCN(CC)CC2)s1
InChIInChI=1S/C13H23N5OS/c1-4-14-13-16-15-11(20-13)12(19)17(3)10-6-8-18(5-2)9-7-10/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyLMBLTMRIPJYZMZ-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80616290) is 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(C)C2CCN(CC)CC2)s1.
What is the InChIKey of 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LMBLTMRIPJYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-4-14-13-16-15-11(20-13)12(19)17(3)10-6-8-18(5-2)9-7-10/h10H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).