(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C15H24N4O2S — CID 127850790

IUPAC(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1nnc(C(=O)N2CCC(CCN3CCOCC3)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-12-16-17-14(22-12)15(20)19-6-3-13(4-7-19)2-5-18-8-10-21-11-9-18/h13H,2-11H2,1H3
InChIKeySCMNXGQFHRABNY-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.42
Rot. Bonds4

About (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 127850790) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID127850790
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1nnc(C(=O)N2CCC(CCN3CCOCC3)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-12-16-17-14(22-12)15(20)19-6-3-13(4-7-19)2-5-18-8-10-21-11-9-18/h13H,2-11H2,1H3
InChIKeySCMNXGQFHRABNY-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 39834967
N-(4-fluorophenyl)-5-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330796
[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122136096
(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone
CID 80616319
(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 60604928
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129
(5-chloro-1,3,4-thiadiazol-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80625869
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one
CID 122157670
4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]morpholine
CID 58668541
(5-amino-1,3,4-thiadiazol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 80615672
2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide
CID 80625458

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 127850790) is (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is Cc1nnc(C(=O)N2CCC(CCN3CCOCC3)CC2)s1.
What is the InChIKey of (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is SCMNXGQFHRABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-16-17-14(22-12)15(20)19-6-3-13(4-7-19)2-5-18-8-10-21-11-9-18/h13H,2-11H2,1H3.
What are the key properties of (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 324.45 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-thiadiazol-2-yl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 127850790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).