4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride

C18H31ClN4OS — CID 22694237

IUPAC4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)NCC1(N2CCC(C)CC2)CCCCC1.Cl
InChIInChI=1S/C18H30N4OS.ClH/c1-3-15-16(24-21-20-15)17(23)19-13-18(9-5-4-6-10-18)22-11-7-14(2)8-12-22;/h14H,3-13H2,1-2H3,(H,19,23);1H
InChIKeyLBYKTHTZLUIKNA-UHFFFAOYSA-N
MW386.99 g/mol
LogP3.69
Rot. Bonds5

About 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride

4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride (PubChem CID 22694237) has the molecular formula C18H31ClN4OS and a molecular weight of 386.99 g/mol. Its IUPAC name is 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride
PubChem CID22694237
Molecular FormulaC18H31ClN4OS
Molecular Weight386.99 g/mol
Exact Mass386.19
IUPAC Name4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)NCC1(N2CCC(C)CC2)CCCCC1.Cl
InChIInChI=1S/C18H30N4OS.ClH/c1-3-15-16(24-21-20-15)17(23)19-13-18(9-5-4-6-10-18)22-11-7-14(2)8-12-22;/h14H,3-13H2,1-2H3,(H,19,23);1H
InChIKeyLBYKTHTZLUIKNA-UHFFFAOYSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.99
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
1-(cyclohexylmethyl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72895733
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
4-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 93618229
4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide
CID 136587878
4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
CID 120813396
4-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-5-carboxamide
CID 120813397
4-propyl-N-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}-1,2,3-thiadiazole-5-carboxamide
CID 137966637
4-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 138997511
N-[(4,4-difluorocyclohexyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 166179834
4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
CID 166239910

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride (CID 22694237) is 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride is CCc1nnsc1C(=O)NCC1(N2CCC(C)CC2)CCCCC1.Cl.
What is the InChIKey of 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride?
The InChIKey is LBYKTHTZLUIKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS.ClH/c1-3-15-16(24-21-20-15)17(23)19-13-18(9-5-4-6-10-18)22-11-7-14(2)8-12-22;/h14H,3-13H2,1-2H3,(H,19,23);1H.
What are the key properties of 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride?
4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride has a molecular weight of 386.99 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 22694237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).