N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H28N2OS — CID 116777889

IUPACN-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOC1(c2nc(C)c(CNC(C)C)s2)CCC(C)CC1
InChIInChI=1S/C16H28N2OS/c1-11(2)17-10-14-13(4)18-15(20-14)16(19-5)8-6-12(3)7-9-16/h11-12,17H,6-10H2,1-5H3
InChIKeyQRSMEHAVCLZONE-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.00
Rot. Bonds5

About N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116777889) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116777889
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOC1(c2nc(C)c(CNC(C)C)s2)CCC(C)CC1
InChIInChI=1S/C16H28N2OS/c1-11(2)17-10-14-13(4)18-15(20-14)16(19-5)8-6-12(3)7-9-16/h11-12,17H,6-10H2,1-5H3
InChIKeyQRSMEHAVCLZONE-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-methoxy-4-methylcyclohexyl)-4-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

Related Compounds

N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104611822
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116778078
N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777930
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116777812
2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 104611833
N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730560
N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193773
N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65419578
1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116774239
N-[[2-(1-ethoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777910

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116777889) is N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is COC1(c2nc(C)c(CNC(C)C)s2)CCC(C)CC1.
What is the InChIKey of N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is QRSMEHAVCLZONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11(2)17-10-14-13(4)18-15(20-14)16(19-5)8-6-12(3)7-9-16/h11-12,17H,6-10H2,1-5H3.
What are the key properties of N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116777889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).