1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

C16H28N4O2S — CID 96562963

IUPAC1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCCc1cnc([C@H](C)NC(=O)NCCN2CCC(OC)CC2)s1
InChIInChI=1S/C16H28N4O2S/c1-4-14-11-18-15(23-14)12(2)19-16(21)17-7-10-20-8-5-13(22-3)6-9-20/h11-13H,4-10H2,1-3H3,(H2,17,19,21)/t12-/m0/s1
InChIKeyMBQIMZOEFWYCCB-LBPRGKRZSA-N
MW340.49 g/mol
LogP2.18
Rot. Bonds7

About 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea

1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (PubChem CID 96562963) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
PubChem CID96562963
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
SMILESCCc1cnc([C@H](C)NC(=O)NCCN2CCC(OC)CC2)s1
InChIInChI=1S/C16H28N4O2S/c1-4-14-11-18-15(23-14)12(2)19-16(21)17-7-10-20-8-5-13(22-3)6-9-20/h11-13H,4-10H2,1-3H3,(H2,17,19,21)/t12-/m0/s1
InChIKeyMBQIMZOEFWYCCB-LBPRGKRZSA-N
XLogP2.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea (CID 96562963) is 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is CCc1cnc([C@H](C)NC(=O)NCCN2CCC(OC)CC2)s1.
What is the InChIKey of 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
The InChIKey is MBQIMZOEFWYCCB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-4-14-11-18-15(23-14)12(2)19-16(21)17-7-10-20-8-5-13(22-3)6-9-20/h11-13H,4-10H2,1-3H3,(H2,17,19,21)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea?
1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea has a molecular weight of 340.49 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 96562963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).