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

C11H16ClN3O2S — CID 80618499

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2nnc(Cl)s2)C1
InChIInChI=1S/C11H16ClN3O2S/c1-2-6-17-8-4-3-5-15(7-8)10(16)9-13-14-11(12)18-9/h8H,2-7H2,1H3
InChIKeyDXCREHGPHMMLDA-UHFFFAOYSA-N
MW289.79 g/mol
LogP2.22
Rot. Bonds4

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

(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 80618499) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID80618499
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2nnc(Cl)s2)C1
InChIInChI=1S/C11H16ClN3O2S/c1-2-6-17-8-4-3-5-15(7-8)10(16)9-13-14-11(12)18-9/h8H,2-7H2,1H3
InChIKeyDXCREHGPHMMLDA-UHFFFAOYSA-N
XLogP2.22
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(4-chloro-1-ethylpyrazol-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 125156471
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone
CID 116664218
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone (CID 80618499) is (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2nnc(Cl)s2)C1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is DXCREHGPHMMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-2-6-17-8-4-3-5-15(7-8)10(16)9-13-14-11(12)18-9/h8H,2-7H2,1H3.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 289.79 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 80618499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).