1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea

C17H30N4OS — CID 56783169

IUPAC1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)NCCc2nc(CC)c(C)s2)CC1
InChIInChI=1S/C17H30N4OS/c1-4-10-21-11-7-14(8-12-21)19-17(22)18-9-6-16-20-15(5-2)13(3)23-16/h14H,4-12H2,1-3H3,(H2,18,19,22)
InChIKeyDKESASJZBTVCCE-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.73
Rot. Bonds7

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

1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea (PubChem CID 56783169) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea
PubChem CID56783169
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)NCCc2nc(CC)c(C)s2)CC1
InChIInChI=1S/C17H30N4OS/c1-4-10-21-11-7-14(8-12-21)19-17(22)18-9-6-16-20-15(5-2)13(3)23-16/h14H,4-12H2,1-3H3,(H2,18,19,22)
InChIKeyDKESASJZBTVCCE-UHFFFAOYSA-N
XLogP2.73
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea (CID 56783169) is 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)NCCc2nc(CC)c(C)s2)CC1.
What is the InChIKey of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is DKESASJZBTVCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-4-10-21-11-7-14(8-12-21)19-17(22)18-9-6-16-20-15(5-2)13(3)23-16/h14H,4-12H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea?
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 338.52 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 56783169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).