(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone

C10H14ClN3OS — CID 80625985

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3OS/c1-2-7-5-3-4-6-14(7)9(15)8-12-13-10(11)16-8/h7H,2-6H2,1H3
InChIKeyHADGXIGYZQVWQD-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.60
Rot. Bonds2

About (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone

(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 80625985) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID80625985
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3OS/c1-2-7-5-3-4-6-14(7)9(15)8-12-13-10(11)16-8/h7H,2-6H2,1H3
InChIKeyHADGXIGYZQVWQD-UHFFFAOYSA-N
XLogP2.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80615804
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(5-chloro-1,3,4-thiadiazol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102778647
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2-ethylpiperidin-1-yl)-(1,2-oxazol-4-yl)methanone
CID 110855862
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 80625985) is (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1nnc(Cl)s1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is HADGXIGYZQVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-2-7-5-3-4-6-14(7)9(15)8-12-13-10(11)16-8/h7H,2-6H2,1H3.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 259.76 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 80625985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).