N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine

C16H28N2OS — CID 116774768

IUPACN-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCCOC(c1nc(CNC(C)C)cs1)C1CCCCC1
InChIInChI=1S/C16H28N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-14(11-20-16)10-17-12(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyHDMFLQQUZSMLPT-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.30
Rot. Bonds7

About N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine

N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 116774768) 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-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID116774768
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCCOC(c1nc(CNC(C)C)cs1)C1CCCCC1
InChIInChI=1S/C16H28N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-14(11-20-16)10-17-12(2)3/h11-13,15,17H,4-10H2,1-3H3
InChIKeyHDMFLQQUZSMLPT-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

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Related Compounds

N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116727916
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774365
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 116778533
methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592
1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 116728252
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
CID 104862931
methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
CID 116705184
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730822
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727927

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 116774768) is N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is CCOC(c1nc(CNC(C)C)cs1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is HDMFLQQUZSMLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-19-15(13-8-6-5-7-9-13)16-18-14(11-20-16)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-4-yl]methyl]propan-2-amine?
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-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-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 116774768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).