N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C14H25N5O2S — CID 46984198

IUPACN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)N2CCCCC2CCO)s1
InChIInChI=1S/C14H25N5O2S/c1-18(2)9-6-12-16-17-13(22-12)15-14(21)19-8-4-3-5-11(19)7-10-20/h11,20H,3-10H2,1-2H3,(H,15,17,21)
InChIKeyCISFSHZWZJSHNF-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.41
Rot. Bonds6

About N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 46984198) has the molecular formula C14H25N5O2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID46984198
Molecular FormulaC14H25N5O2S
Molecular Weight327.45 g/mol
Exact Mass327.17
IUPAC NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)N2CCCCC2CCO)s1
InChIInChI=1S/C14H25N5O2S/c1-18(2)9-6-12-16-17-13(22-12)15-14(21)19-8-4-3-5-11(19)7-10-20/h11,20H,3-10H2,1-2H3,(H,15,17,21)
InChIKeyCISFSHZWZJSHNF-UHFFFAOYSA-N
XLogP1.41
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 134713707
(4S)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-4-phenylazepane-1-carboxamide
CID 94169260
(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778298
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
3-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidin-2-yl]propanoic acid
CID 139019516
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 46984198) is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is CN(C)CCc1nnc(NC(=O)N2CCCCC2CCO)s1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is CISFSHZWZJSHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2S/c1-18(2)9-6-12-16-17-13(22-12)15-14(21)19-8-4-3-5-11(19)7-10-20/h11,20H,3-10H2,1-2H3,(H,15,17,21).
What are the key properties of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 46984198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).