ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate

C17H20N4O4S — CID 100747382

IUPACethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2snnc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C17H20N4O4S/c1-3-25-17(23)21-9-7-20(8-10-21)16(22)15-14(18-19-26-15)12-5-4-6-13(11-12)24-2/h4-6,11H,3,7-10H2,1-2H3
InChIKeyTUQHIXCYWMJYNY-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.13
Rot. Bonds4

About ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate (PubChem CID 100747382) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate
PubChem CID100747382
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Nameethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2snnc2-c2cccc(OC)c2)CC1
InChIInChI=1S/C17H20N4O4S/c1-3-25-17(23)21-9-7-20(8-10-21)16(22)15-14(18-19-26-15)12-5-4-6-13(11-12)24-2/h4-6,11H,3,7-10H2,1-2H3
InChIKeyTUQHIXCYWMJYNY-UHFFFAOYSA-N
XLogP2.13
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
ethyl 4-[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 24761204
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 45492013
(4-ethylthiadiazol-5-yl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092300
ethyl 4-[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 4642190
methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
CID 134801650
ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
CID 92684270
ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 42591314
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
ethyl 4-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]piperidine-1-carboxylate
CID 110316727
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate (CID 100747382) is ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2snnc2-c2cccc(OC)c2)CC1.
What is the InChIKey of ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is TUQHIXCYWMJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-3-25-17(23)21-9-7-20(8-10-21)16(22)15-14(18-19-26-15)12-5-4-6-13(11-12)24-2/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 376.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 100747382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).