(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C13H19ClN4OS — CID 80625869

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1nnc(Cl)s1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C13H19ClN4OS/c14-13-16-15-11(20-13)12(19)18-7-3-10(4-8-18)9-17-5-1-2-6-17/h10H,1-9H2
InChIKeyMUYIPOGMZKJAQQ-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.14
Rot. Bonds3

About (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 80625869) has the molecular formula C13H19ClN4OS and a molecular weight of 314.84 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID80625869
Molecular FormulaC13H19ClN4OS
Molecular Weight314.84 g/mol
Exact Mass314.10
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1nnc(Cl)s1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C13H19ClN4OS/c14-13-16-15-11(20-13)12(19)18-7-3-10(4-8-18)9-17-5-1-2-6-17/h10H,1-9H2
InChIKeyMUYIPOGMZKJAQQ-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide
CID 80625458
1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
CID 80625054
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 80619318
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 80624872
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 80618666
(5-chloro-1,3,4-thiadiazol-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 80617850
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957023
(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62234566
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 54877453

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 80625869) is (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1nnc(Cl)s1)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is MUYIPOGMZKJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4OS/c14-13-16-15-11(20-13)12(19)18-7-3-10(4-8-18)9-17-5-1-2-6-17/h10H,1-9H2.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 314.84 g/mol, XLogP of 2.14, 3 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)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80625869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).