2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide

C16H23N5O2S2 — CID 86921370

IUPAC2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2nnc(-c3sc(C)nc3C)o2)CC1
InChIInChI=1S/C16H23N5O2S2/c1-4-21-7-5-12(6-8-21)18-13(22)9-24-16-20-19-15(23-16)14-10(2)17-11(3)25-14/h12H,4-9H2,1-3H3,(H,18,22)
InChIKeyQHEIMFJQKHBMHF-UHFFFAOYSA-N
MW381.53 g/mol
LogP2.50
Rot. Bonds6

About 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide

2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 86921370) has the molecular formula C16H23N5O2S2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID86921370
Molecular FormulaC16H23N5O2S2
Molecular Weight381.53 g/mol
Exact Mass381.13
IUPAC Name2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CSc2nnc(-c3sc(C)nc3C)o2)CC1
InChIInChI=1S/C16H23N5O2S2/c1-4-21-7-5-12(6-8-21)18-13(22)9-24-16-20-19-15(23-16)14-10(2)17-11(3)25-14/h12H,4-9H2,1-3H3,(H,18,22)
InChIKeyQHEIMFJQKHBMHF-UHFFFAOYSA-N
XLogP2.50
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(cyclohexylmethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 128925322
1-(azocan-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 43047079
N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 78867244
N-[1-(2-chlorophenyl)ethyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24652924
ethyl 4-carbamoyl-5-[[2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylfuran-3-carboxylate
CID 24669932
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24669947
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 42892784
N-benzyl-N-(1-cyclopropylethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24652967
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 18130863
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24652881
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
1-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 34357490

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide (CID 86921370) is 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CSc2nnc(-c3sc(C)nc3C)o2)CC1.
What is the InChIKey of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is QHEIMFJQKHBMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S2/c1-4-21-7-5-12(6-8-21)18-13(22)9-24-16-20-19-15(23-16)14-10(2)17-11(3)25-14/h12H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide?
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 381.53 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 86921370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).