4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide

C14H24N4OS — CID 92863122

IUPAC4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C
InChIInChI=1S/C14H24N4OS/c1-4-12-13(20-17-16-12)14(19)15-9-11(3)18-8-6-5-7-10(18)2/h10-11H,4-9H2,1-3H3,(H,15,19)/t10-,11-/m0/s1
InChIKeyNPGFUVKGQWRABA-QWRGUYRKSA-N
MW296.44 g/mol
LogP2.09
Rot. Bonds5

About 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide

4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide (PubChem CID 92863122) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
PubChem CID92863122
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C
InChIInChI=1S/C14H24N4OS/c1-4-12-13(20-17-16-12)14(19)15-9-11(3)18-8-6-5-7-10(18)2/h10-11H,4-9H2,1-3H3,(H,15,19)/t10-,11-/m0/s1
InChIKeyNPGFUVKGQWRABA-QWRGUYRKSA-N
XLogP2.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 47123940
N-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]pyridine-4-carboxamide
CID 98719912
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95221676
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
4-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 47082393
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
N-(2-bromo-3-ethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 106288343
4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
CID 119510567
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
(3R)-1-cyclopentyl-N-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 124856375

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide (CID 92863122) is 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C.
What is the InChIKey of 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide?
The InChIKey is NPGFUVKGQWRABA-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-12-13(20-17-16-12)14(19)15-9-11(3)18-8-6-5-7-10(18)2/h10-11H,4-9H2,1-3H3,(H,15,19)/t10-,11-/m0/s1.
What are the key properties of 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 92863122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).