N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C12H21ClN4O2S — CID 120616725

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCc1nnc(NC(=O)C2(COC)CCNCC2)s1.Cl
InChIInChI=1S/C12H20N4O2S.ClH/c1-3-9-15-16-11(19-9)14-10(17)12(8-18-2)4-6-13-7-5-12;/h13H,3-8H2,1-2H3,(H,14,16,17);1H
InChIKeyWJGHUWWWIYMHTO-UHFFFAOYSA-N
MW320.85 g/mol
LogP1.48
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120616725) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120616725
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCc1nnc(NC(=O)C2(COC)CCNCC2)s1.Cl
InChIInChI=1S/C12H20N4O2S.ClH/c1-3-9-15-16-11(19-9)14-10(17)12(8-18-2)4-6-13-7-5-12;/h13H,3-8H2,1-2H3,(H,14,16,17);1H
InChIKeyWJGHUWWWIYMHTO-UHFFFAOYSA-N
XLogP1.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 120631356
ethyl 2-[[5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 120616919
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943678
4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 114041967
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 129414179
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 17144240
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623224
3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 103826076
1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 9046500
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119679205
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616823

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120616725) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is CCc1nnc(NC(=O)C2(COC)CCNCC2)s1.Cl.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is WJGHUWWWIYMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S.ClH/c1-3-9-15-16-11(19-9)14-10(17)12(8-18-2)4-6-13-7-5-12;/h13H,3-8H2,1-2H3,(H,14,16,17);1H.
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 320.85 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).