1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea

C14H23N3O2S — CID 75504510

IUPAC1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCc1csc(C(C)CNC(=O)NC(C)C2CCOC2)n1
InChIInChI=1S/C14H23N3O2S/c1-9(13-16-10(2)8-20-13)6-15-14(18)17-11(3)12-4-5-19-7-12/h8-9,11-12H,4-7H2,1-3H3,(H2,15,17,18)
InChIKeyLCJCHMVZURCIJE-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.28
Rot. Bonds5

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

1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea (PubChem CID 75504510) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea
PubChem CID75504510
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCc1csc(C(C)CNC(=O)NC(C)C2CCOC2)n1
InChIInChI=1S/C14H23N3O2S/c1-9(13-16-10(2)8-20-13)6-15-14(18)17-11(3)12-4-5-19-7-12/h8-9,11-12H,4-7H2,1-3H3,(H2,15,17,18)
InChIKeyLCJCHMVZURCIJE-UHFFFAOYSA-N
XLogP2.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea (CID 75504510) is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea is Cc1csc(C(C)CNC(=O)NC(C)C2CCOC2)n1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The InChIKey is LCJCHMVZURCIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(13-16-10(2)8-20-13)6-15-14(18)17-11(3)12-4-5-19-7-12/h8-9,11-12H,4-7H2,1-3H3,(H2,15,17,18).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea?
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[1-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 75504510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).