methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate

C16H24N2O2S — CID 80569213

IUPACmethyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2C3(C)CCC(C3)C2(C)C)nc1C
InChIInChI=1S/C16H24N2O2S/c1-9-11(12(19)20-5)21-14(17-9)18-13-15(2,3)10-6-7-16(13,4)8-10/h10,13H,6-8H2,1-5H3,(H,17,18)
InChIKeyJVDPGHJZFXLXCJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.86
Rot. Bonds3

About methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80569213) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80569213
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Namemethyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2C3(C)CCC(C3)C2(C)C)nc1C
InChIInChI=1S/C16H24N2O2S/c1-9-11(12(19)20-5)21-14(17-9)18-13-15(2,3)10-6-7-16(13,4)8-10/h10,13H,6-8H2,1-5H3,(H,17,18)
InChIKeyJVDPGHJZFXLXCJ-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate 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 methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate (CID 80569213) is methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2C3(C)CCC(C3)C2(C)C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is JVDPGHJZFXLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-9-11(12(19)20-5)21-14(17-9)18-13-15(2,3)10-6-7-16(13,4)8-10/h10,13H,6-8H2,1-5H3,(H,17,18).
What are the key properties of methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 308.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).