1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea

C17H25N3OS — CID 2929826

IUPAC1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea
SMILESCC12CC3(C)CC(C)(C1)CC(NC(=O)Nc1nccs1)(C2)C3
InChIInChI=1S/C17H25N3OS/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)20-12(21)19-13-18-4-5-22-13/h4-5H,6-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyHJOVULFEMMLYFO-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.40
Rot. Bonds2

About 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea

1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea (PubChem CID 2929826) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea
PubChem CID2929826
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea
SMILESCC12CC3(C)CC(C)(C1)CC(NC(=O)Nc1nccs1)(C2)C3
InChIInChI=1S/C17H25N3OS/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)20-12(21)19-13-18-4-5-22-13/h4-5H,6-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyHJOVULFEMMLYFO-UHFFFAOYSA-N
XLogP4.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea?
The IUPAC name of 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea (CID 2929826) is 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea is CC12CC3(C)CC(C)(C1)CC(NC(=O)Nc1nccs1)(C2)C3.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea?
The InChIKey is HJOVULFEMMLYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-14-6-15(2)8-16(3,7-14)11-17(9-14,10-15)20-12(21)19-13-18-4-5-22-13/h4-5H,6-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea?
1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea has a molecular weight of 319.47 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-3-(3,5,7-trimethyl-1-adamantyl)urea is sourced from PubChem (CID 2929826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).