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

C12H19N3O3S — CID 47148470

IUPAC1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCCOCC1CCCO1)Nc1nccs1
InChIInChI=1S/C12H19N3O3S/c16-11(15-12-14-5-8-19-12)13-4-2-6-17-9-10-3-1-7-18-10/h5,8,10H,1-4,6-7,9H2,(H2,13,14,15,16)
InChIKeyNRKIKMIABADTOX-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.85
Rot. Bonds7

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

1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 47148470) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID47148470
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCCOCC1CCCO1)Nc1nccs1
InChIInChI=1S/C12H19N3O3S/c16-11(15-12-14-5-8-19-12)13-4-2-6-17-9-10-3-1-7-18-10/h5,8,10H,1-4,6-7,9H2,(H2,13,14,15,16)
InChIKeyNRKIKMIABADTOX-UHFFFAOYSA-N
XLogP1.85
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94025132
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613
1-(4-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40798942
1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95770393
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
1-(3-chlorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 17423697
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 40881802
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 108883461
1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 38164885

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea (CID 47148470) is 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea is O=C(NCCCOCC1CCCO1)Nc1nccs1.
What is the InChIKey of 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is NRKIKMIABADTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-11(15-12-14-5-8-19-12)13-4-2-6-17-9-10-3-1-7-18-10/h5,8,10H,1-4,6-7,9H2,(H2,13,14,15,16).
What are the key properties of 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea?
1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 285.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47148470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).