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

C14H23N3O2S — CID 75520518

IUPAC1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CN(C)C(=O)NCCC1CCCO1)c1nccs1
InChIInChI=1S/C14H23N3O2S/c1-11(13-15-7-9-20-13)10-17(2)14(18)16-6-5-12-4-3-8-19-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,16,18)
InChIKeyCQXSZILWEVCQLV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.46
Rot. Bonds6

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

1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 75520518) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID75520518
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CN(C)C(=O)NCCC1CCCO1)c1nccs1
InChIInChI=1S/C14H23N3O2S/c1-11(13-15-7-9-20-13)10-17(2)14(18)16-6-5-12-4-3-8-19-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,16,18)
InChIKeyCQXSZILWEVCQLV-UHFFFAOYSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea (CID 75520518) is 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea is CC(CN(C)C(=O)NCCC1CCCO1)c1nccs1.
What is the InChIKey of 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is CQXSZILWEVCQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(13-15-7-9-20-13)10-17(2)14(18)16-6-5-12-4-3-8-19-12/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,16,18).
What are the key properties of 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea?
1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(oxolan-2-yl)ethyl]-1-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75520518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).