1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea

C16H26N4O2S — CID 95275004

IUPAC1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
SMILESCCc1nc(CCNC(=O)N[C@@H](C)C(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H26N4O2S/c1-3-14-19-13(11-23-14)7-8-17-16(22)18-12(2)15(21)20-9-5-4-6-10-20/h11-12H,3-10H2,1-2H3,(H2,17,18,22)/t12-/m0/s1
InChIKeyFMUIODQGOTXEJJ-LBPRGKRZSA-N
MW338.48 g/mol
LogP1.95
Rot. Bonds6

About 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea

1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea (PubChem CID 95275004) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
PubChem CID95275004
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
SMILESCCc1nc(CCNC(=O)N[C@@H](C)C(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H26N4O2S/c1-3-14-19-13(11-23-14)7-8-17-16(22)18-12(2)15(21)20-9-5-4-6-10-20/h11-12H,3-10H2,1-2H3,(H2,17,18,22)/t12-/m0/s1
InChIKeyFMUIODQGOTXEJJ-LBPRGKRZSA-N
XLogP1.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95275005
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95300643
2-(2-amino-1,3-thiazol-4-yl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62798011
1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 113229167
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 56827169
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
(2S)-N-[(2S)-butan-2-yl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]propanamide
CID 95590660
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389950
3-(2-amino-2-oxoethyl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71865717
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea (CID 95275004) is 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea is CCc1nc(CCNC(=O)N[C@@H](C)C(=O)N2CCCCC2)cs1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
The InChIKey is FMUIODQGOTXEJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-14-19-13(11-23-14)7-8-17-16(22)18-12(2)15(21)20-9-5-4-6-10-20/h11-12H,3-10H2,1-2H3,(H2,17,18,22)/t12-/m0/s1.
What are the key properties of 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea?
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea has a molecular weight of 338.48 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 95275004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).