4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide

C12H20N4OS — CID 113400500

IUPAC4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1(C)CCCNC1
InChIInChI=1S/C12H20N4OS/c1-3-9-10(18-16-15-9)11(17)14-8-12(2)5-4-6-13-7-12/h13H,3-8H2,1-2H3,(H,14,17)
InChIKeyVKMGCKULLJCLIB-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.22
Rot. Bonds4

About 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide

4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 113400500) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide
PubChem CID113400500
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1(C)CCCNC1
InChIInChI=1S/C12H20N4OS/c1-3-9-10(18-16-15-9)11(17)14-8-12(2)5-4-6-13-7-12/h13H,3-8H2,1-2H3,(H,14,17)
InChIKeyVKMGCKULLJCLIB-UHFFFAOYSA-N
XLogP1.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
CID 120892171
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 115456007
1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361690
N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide
CID 9192834
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
N-[1-(aminomethyl)cyclopentyl]-4-ethylthiadiazole-5-carboxamide
CID 65210136
4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
CID 119510567
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
CID 115878220
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158582

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide (CID 113400500) is 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC1(C)CCCNC1.
What is the InChIKey of 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is VKMGCKULLJCLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-9-10(18-16-15-9)11(17)14-8-12(2)5-4-6-13-7-12/h13H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 113400500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).