N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine

C17H30N2OS — CID 116778062

IUPACN-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(OCC)C2CCCCC2)nc1CC
InChIInChI=1S/C17H30N2OS/c1-4-14-15(12-18-5-2)21-17(19-14)16(20-6-3)13-10-8-7-9-11-13/h13,16,18H,4-12H2,1-3H3
InChIKeyMRPCMHZQSQHTNK-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.47
Rot. Bonds8

About N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 116778062) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID116778062
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(OCC)C2CCCCC2)nc1CC
InChIInChI=1S/C17H30N2OS/c1-4-14-15(12-18-5-2)21-17(19-14)16(20-6-3)13-10-8-7-9-11-13/h13,16,18H,4-12H2,1-3H3
InChIKeyMRPCMHZQSQHTNK-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine 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-[cyclohexyl(methoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116778093
[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362042
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116730811
2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 116744696
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730822
N-[(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428249
N-[[2-(1-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642
2-[cyclopropyl(ethoxy)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359644
N-[[2-(cyclopropylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841273
N-[[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368736
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774365
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 116778062) is N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C(OCC)C2CCCCC2)nc1CC.
What is the InChIKey of N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MRPCMHZQSQHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-4-14-15(12-18-5-2)21-17(19-14)16(20-6-3)13-10-8-7-9-11-13/h13,16,18H,4-12H2,1-3H3.
What are the key properties of N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 310.51 g/mol, XLogP of 4.47, 8 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]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 116778062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).