(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C17H18N6O2S — CID 99993788

IUPAC(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cs1
InChIInChI=1S/C17H18N6O2S/c1-11-20-14(10-26-11)17(24)23-6-2-3-12(9-23)7-15-21-16(22-25-15)13-8-18-4-5-19-13/h4-5,8,10,12H,2-3,6-7,9H2,1H3/t12-/m0/s1
InChIKeyWBDGNSKTTJEDSE-LBPRGKRZSA-N
MW370.44 g/mol
LogP2.39
Rot. Bonds4

About (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 99993788) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID99993788
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cs1
InChIInChI=1S/C17H18N6O2S/c1-11-20-14(10-26-11)17(24)23-6-2-3-12(9-23)7-15-21-16(22-25-15)13-8-18-4-5-19-13/h4-5,8,10,12H,2-3,6-7,9H2,1H3/t12-/m0/s1
InChIKeyWBDGNSKTTJEDSE-LBPRGKRZSA-N
XLogP2.39
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642397
(5-chlorothiophen-2-yl)-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99994075
1,3-benzothiazol-6-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99993802
2-propyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642167
4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 90642279
naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642217
(3,4-difluorophenyl)-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642211
[(3S)-oxolan-3-yl]-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99994207
[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 86266045
2-(2-methylphenoxy)-1-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99993910
2-cyclopentylsulfanyl-1-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 90642127
[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 99994105

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 99993788) is (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WBDGNSKTTJEDSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-11-20-14(10-26-11)17(24)23-6-2-3-12(9-23)7-15-21-16(22-25-15)13-8-18-4-5-19-13/h4-5,8,10,12H,2-3,6-7,9H2,1H3/t12-/m0/s1.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 370.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99993788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).