1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea

C14H23N5O2S — CID 46994666

IUPAC1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
SMILESCC(C)(C)c1nnc(NC(=O)NCCN2CCCCC2=O)s1
InChIInChI=1S/C14H23N5O2S/c1-14(2,3)11-17-18-13(22-11)16-12(21)15-7-9-19-8-5-4-6-10(19)20/h4-9H2,1-3H3,(H2,15,16,18,21)
InChIKeyIYQVAHREAKLWHD-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.97
Rot. Bonds4

About 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea (PubChem CID 46994666) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
PubChem CID46994666
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea
SMILESCC(C)(C)c1nnc(NC(=O)NCCN2CCCCC2=O)s1
InChIInChI=1S/C14H23N5O2S/c1-14(2,3)11-17-18-13(22-11)16-12(21)15-7-9-19-8-5-4-6-10(19)20/h4-9H2,1-3H3,(H2,15,16,18,21)
InChIKeyIYQVAHREAKLWHD-UHFFFAOYSA-N
XLogP1.97
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
1-[2-(tert-butylamino)ethyl]azepan-2-one
CID 61387620
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 167019906
(3S)-1-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9399422
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875421
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166506421
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
ethyl 2-[4-[2-(2-oxopiperidin-1-yl)ethylcarbamoylamino]phenyl]acetate
CID 72914418
4-oxo-4-[2-(2-oxoazepan-1-yl)ethylamino]but-2-enoic acid
CID 157315369
3-methyl-4-oxo-4-[4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoylamino]phenyl]butanoic acid
CID 21249126
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
CID 67953357

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea (CID 46994666) is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea is CC(C)(C)c1nnc(NC(=O)NCCN2CCCCC2=O)s1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
The InChIKey is IYQVAHREAKLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-14(2,3)11-17-18-13(22-11)16-12(21)15-7-9-19-8-5-4-6-10(19)20/h4-9H2,1-3H3,(H2,15,16,18,21).
What are the key properties of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea?
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea has a molecular weight of 325.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-oxopiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 46994666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).