[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C17H30N2OS — CID 114362042

IUPAC[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(c1nc(CC(C)C)c(CN)s1)C1CCCCC1
InChIInChI=1S/C17H30N2OS/c1-4-20-16(13-8-6-5-7-9-13)17-19-14(10-12(2)3)15(11-18)21-17/h12-13,16H,4-11,18H2,1-3H3
InChIKeyBSCMLEODAVSKIT-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.46
Rot. Bonds7

About [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362042) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362042
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(c1nc(CC(C)C)c(CN)s1)C1CCCCC1
InChIInChI=1S/C17H30N2OS/c1-4-20-16(13-8-6-5-7-9-13)17-19-14(10-12(2)3)15(11-18)21-17/h12-13,16H,4-11,18H2,1-3H3
InChIKeyBSCMLEODAVSKIT-UHFFFAOYSA-N
XLogP4.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362256
[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362210
N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 116778062
[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362116
2-[cyclopropyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360410
2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 116744696
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768
N-[[2-[cyclopropyl(ethoxy)methyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730822
[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362011
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
N-[[2-[cyclohexyl(methoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116778093
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774365

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362042) is [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CCOC(c1nc(CC(C)C)c(CN)s1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BSCMLEODAVSKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-4-20-16(13-8-6-5-7-9-13)17-19-14(10-12(2)3)15(11-18)21-17/h12-13,16H,4-11,18H2,1-3H3.
What are the key properties of [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 310.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).