[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone

C14H17N5O2S — CID 154738087

IUPAC[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCCOc1cccc(N2CCN(C(=O)c3cnns3)CC2)n1
InChIInChI=1S/C14H17N5O2S/c1-2-21-13-5-3-4-12(16-13)18-6-8-19(9-7-18)14(20)11-10-15-17-22-11/h3-5,10H,2,6-9H2,1H3
InChIKeyJCDVCKHNCQACCX-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.29
Rot. Bonds4

About [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone

[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 154738087) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID154738087
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCCOc1cccc(N2CCN(C(=O)c3cnns3)CC2)n1
InChIInChI=1S/C14H17N5O2S/c1-2-21-13-5-3-4-12(16-13)18-6-8-19(9-7-18)14(20)11-10-15-17-22-11/h3-5,10H,2,6-9H2,1H3
InChIKeyJCDVCKHNCQACCX-UHFFFAOYSA-N
XLogP1.29
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-1-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 146085937
3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122018993
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methanone
CID 154740610
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133470597
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanone
CID 136583909
2-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 63586487
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 63591436
[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 146122341

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone (CID 154738087) is [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone is CCOc1cccc(N2CCN(C(=O)c3cnns3)CC2)n1.
What is the InChIKey of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is JCDVCKHNCQACCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-2-21-13-5-3-4-12(16-13)18-6-8-19(9-7-18)14(20)11-10-15-17-22-11/h3-5,10H,2,6-9H2,1H3.
What are the key properties of [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 319.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 154738087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).