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

C16H16N4O2S2 — CID 71793083

IUPAC[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCc1nnc(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)s1
InChIInChI=1S/C16H16N4O2S2/c1-10-17-18-15(24-10)11-4-6-20(7-5-11)16(21)12-9-13(22-19-12)14-3-2-8-23-14/h2-3,8-9,11H,4-7H2,1H3
InChIKeyGYVLVSXHQUZZBZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.58
Rot. Bonds3

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

[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 71793083) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID71793083
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCc1nnc(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)s1
InChIInChI=1S/C16H16N4O2S2/c1-10-17-18-15(24-10)11-4-6-20(7-5-11)16(21)12-9-13(22-19-12)14-3-2-8-23-14/h2-3,8-9,11H,4-7H2,1H3
InChIKeyGYVLVSXHQUZZBZ-UHFFFAOYSA-N
XLogP3.58
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 15998429
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CID 3242386
1-Piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
CID 2745204
5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carboxamide
CID 3238191
N-benzyl-5-thien-2-ylisoxazole-3-carboxamide
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(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(2-thienyl)piperazin-2-one
CID 68158201
(3S,6S)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(3-thienyl)piperazin-2-one
CID 68158560
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3239898
1-(4-Fluorophenyl)-4-[(5-thien-2-ylisoxazol-3-yl)carbonyl]piperazine
CID 3239954
2-[(5-Thien-2-ylisoxazol-3-yl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 3240870
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3241509
4-(Diphenylmethyl)piperazinyl 5-(2-thienyl)isoxazol-3-yl ketone
CID 9551034

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 71793083) is [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is Cc1nnc(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)s1.
What is the InChIKey of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is GYVLVSXHQUZZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-10-17-18-15(24-10)11-4-6-20(7-5-11)16(21)12-9-13(22-19-12)14-3-2-8-23-14/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 71793083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).