4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide

C12H20N4OS — CID 30768347

IUPAC4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C12H20N4OS/c1-3-10-11(18-15-14-10)12(17)13-9-5-7-16(4-2)8-6-9/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyNDHWRMMISNEOTC-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.31
Rot. Bonds4

About 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide

4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide (PubChem CID 30768347) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
PubChem CID30768347
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C12H20N4OS/c1-3-10-11(18-15-14-10)12(17)13-9-5-7-16(4-2)8-6-9/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyNDHWRMMISNEOTC-UHFFFAOYSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide (CID 30768347) is 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1CCN(CC)CC1.
What is the InChIKey of 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide?
The InChIKey is NDHWRMMISNEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-10-11(18-15-14-10)12(17)13-9-5-7-16(4-2)8-6-9/h9H,3-8H2,1-2H3,(H,13,17).
What are the key properties of 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 30768347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).