1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

C12H19N5O2S — CID 47196092

IUPAC1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1nnc(NC(=O)NC2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C12H19N5O2S/c1-3-10-15-16-12(20-10)14-11(19)13-9-4-6-17(7-5-9)8(2)18/h9H,3-7H2,1-2H3,(H2,13,14,16,19)
InChIKeyFHPDTINQZBUNJR-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.23
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 47196092) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID47196092
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1nnc(NC(=O)NC2CCN(C(C)=O)CC2)s1
InChIInChI=1S/C12H19N5O2S/c1-3-10-15-16-12(20-10)14-11(19)13-9-4-6-17(7-5-9)8(2)18/h9H,3-7H2,1-2H3,(H2,13,14,16,19)
InChIKeyFHPDTINQZBUNJR-UHFFFAOYSA-N
XLogP1.23
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 45205978
4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55665906
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
CID 110932980
1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 86830659
N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide
CID 86987716
1-[3-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269550
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473146
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 129367136
1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 45376677

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (CID 47196092) is 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is CCc1nnc(NC(=O)NC2CCN(C(C)=O)CC2)s1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is FHPDTINQZBUNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-3-10-15-16-12(20-10)14-11(19)13-9-4-6-17(7-5-9)8(2)18/h9H,3-7H2,1-2H3,(H2,13,14,16,19).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 297.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47196092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).