2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one

C17H17N5O2S2 — CID 136850277

IUPAC2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
SMILESCc1nnsc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C17H17N5O2S2/c1-10-15(26-21-20-10)17(24)22-5-2-11(3-6-22)16-18-13(8-14(23)19-16)12-4-7-25-9-12/h4,7-9,11H,2-3,5-6H2,1H3,(H,18,19,23)
InChIKeyWYDLROAZDGUMAE-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.68
Rot. Bonds3

About 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one

2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one (PubChem CID 136850277) has the molecular formula C17H17N5O2S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
PubChem CID136850277
Molecular FormulaC17H17N5O2S2
Molecular Weight387.49 g/mol
Exact Mass387.08
IUPAC Name2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
SMILESCc1nnsc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C17H17N5O2S2/c1-10-15(26-21-20-10)17(24)22-5-2-11(3-6-22)16-18-13(8-14(23)19-16)12-4-7-25-9-12/h4,7-9,11H,2-3,5-6H2,1H3,(H,18,19,23)
InChIKeyWYDLROAZDGUMAE-UHFFFAOYSA-N
XLogP2.68
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136850627
2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136850282
1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 136763970
2-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136735444
2-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136735792
2-[(3R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963244
5-[2-oxo-2-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 136881648
(5R)-5-[2-oxo-2-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 136682538
(4-methylthiadiazol-5-yl)-[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 97426996
(4-methylthiadiazol-5-yl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 72717117
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 16670475

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one (CID 136850277) is 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one is Cc1nnsc1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one?
The InChIKey is WYDLROAZDGUMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S2/c1-10-15(26-21-20-10)17(24)22-5-2-11(3-6-22)16-18-13(8-14(23)19-16)12-4-7-25-9-12/h4,7-9,11H,2-3,5-6H2,1H3,(H,18,19,23).
What are the key properties of 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one?
2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one has a molecular weight of 387.49 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136850277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).