N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H28N2OS — CID 116774365

IUPACN-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC(c1ncc(CNC(C)C)s1)C1CCCCC1
InChIInChI=1S/C16H28N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-11-14(20-16)10-17-12(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyRPESMFVGMHCHIL-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.30
Rot. Bonds7

About N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116774365) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116774365
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCOC(c1ncc(CNC(C)C)s1)C1CCCCC1
InChIInChI=1S/C16H28N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-11-14(20-16)10-17-12(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyRPESMFVGMHCHIL-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine 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 N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116774365) is N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is CCOC(c1ncc(CNC(C)C)s1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is RPESMFVGMHCHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-11-14(20-16)10-17-12(2)3/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116774365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).