1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea

C12H19N3O2S — CID 71986302

IUPAC1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea
SMILESCOC1(C)CC(NC(=O)Nc2nccs2)C1(C)C
InChIInChI=1S/C12H19N3O2S/c1-11(2)8(7-12(11,3)17-4)14-9(16)15-10-13-5-6-18-10/h5-6,8H,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyWPBSXRCRSQXHTB-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea

1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 71986302) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID71986302
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea
SMILESCOC1(C)CC(NC(=O)Nc2nccs2)C1(C)C
InChIInChI=1S/C12H19N3O2S/c1-11(2)8(7-12(11,3)17-4)14-9(16)15-10-13-5-6-18-10/h5-6,8H,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyWPBSXRCRSQXHTB-UHFFFAOYSA-N
XLogP2.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea 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

1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
methyl (1S,2R,3R,4S)-3-(1,3-thiazol-2-ylcarbamoylamino)bicyclo[2.2.1]heptane-2-carboxylate
CID 124866147
1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea
CID 4904044
2-ethyl-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,3-thiazole-5-carboxamide
CID 99813012
1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 71910482
1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 95931426
2-(2-aminoethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638436
1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-(pyridin-3-ylmethyl)urea
CID 96520014
(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 97425366
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea (CID 71986302) is 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea is COC1(C)CC(NC(=O)Nc2nccs2)C1(C)C.
What is the InChIKey of 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is WPBSXRCRSQXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-11(2)8(7-12(11,3)17-4)14-9(16)15-10-13-5-6-18-10/h5-6,8H,7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea?
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 269.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71986302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).