1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea

C16H24N4O2S — CID 84589564

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESCN(C)c1nc(CNC(=O)NC2C3CCOC3C23CCC3)cs1
InChIInChI=1S/C16H24N4O2S/c1-20(2)15-18-10(9-23-15)8-17-14(21)19-12-11-4-7-22-13(11)16(12)5-3-6-16/h9,11-13H,3-8H2,1-2H3,(H2,17,19,21)
InChIKeyONRMTIMEBVEDQR-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.97
Rot. Bonds4

About 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (PubChem CID 84589564) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
PubChem CID84589564
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
SMILESCN(C)c1nc(CNC(=O)NC2C3CCOC3C23CCC3)cs1
InChIInChI=1S/C16H24N4O2S/c1-20(2)15-18-10(9-23-15)8-17-14(21)19-12-11-4-7-22-13(11)16(12)5-3-6-16/h9,11-13H,3-8H2,1-2H3,(H2,17,19,21)
InChIKeyONRMTIMEBVEDQR-UHFFFAOYSA-N
XLogP1.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75422605
2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 109393313
2-Methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109393314
1-Ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 109393319
1-Ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 109393320
3-(3-Ethoxyspiro[3.3]heptan-1-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 71868010
1-[[2-(Dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71924344
4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 75483282
1-(4-methyl-1,3-thiazol-2-yl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperidin-4-amine
CID 86786517
3-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 97029407
3-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 97029408
3-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 97029409

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea (CID 84589564) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is CN(C)c1nc(CNC(=O)NC2C3CCOC3C23CCC3)cs1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
The InChIKey is ONRMTIMEBVEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-20(2)15-18-10(9-23-15)8-17-14(21)19-12-11-4-7-22-13(11)16(12)5-3-6-16/h9,11-13H,3-8H2,1-2H3,(H2,17,19,21).
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea has a molecular weight of 336.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea is sourced from PubChem (CID 84589564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).