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

C11H15ClN4OS — CID 80619318

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1nnc(Cl)s1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H15ClN4OS/c12-11-14-13-9(18-11)10(17)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2
InChIKeyWRQQCSPAHNYAND-UHFFFAOYSA-N
MW286.79 g/mol
LogP1.50
Rot. Bonds2

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

(5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 80619318) has the molecular formula C11H15ClN4OS and a molecular weight of 286.79 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID80619318
Molecular FormulaC11H15ClN4OS
Molecular Weight286.79 g/mol
Exact Mass286.07
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1nnc(Cl)s1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H15ClN4OS/c12-11-14-13-9(18-11)10(17)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2
InChIKeyWRQQCSPAHNYAND-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
CID 80625054
[5-(propylamino)-1,3,4-thiadiazol-2-yl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 80619244
(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80625869
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80623450
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 80619246
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 95271389
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167078
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 80625985

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 80619318) is (5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1nnc(Cl)s1)N1CCC(N2CCCC2)C1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is WRQQCSPAHNYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4OS/c12-11-14-13-9(18-11)10(17)16-6-3-8(7-16)15-4-1-2-5-15/h8H,1-7H2.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 286.79 g/mol, XLogP of 1.50, 2 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-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 80619318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).