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

C17H30N2OS — CID 114362011

IUPAC[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC1(c2nc(CC(C)C)c(CN)s2)CCC(C)CC1
InChIInChI=1S/C17H30N2OS/c1-5-20-17(8-6-13(4)7-9-17)16-19-14(10-12(2)3)15(11-18)21-16/h12-13H,5-11,18H2,1-4H3
InChIKeyBXIRBDWSARCRIJ-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.24
Rot. Bonds6

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

[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362011) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362011
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC1(c2nc(CC(C)C)c(CN)s2)CCC(C)CC1
InChIInChI=1S/C17H30N2OS/c1-5-20-17(8-6-13(4)7-9-17)16-19-14(10-12(2)3)15(11-18)21-16/h12-13H,5-11,18H2,1-4H3
InChIKeyBXIRBDWSARCRIJ-UHFFFAOYSA-N
XLogP4.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361180
[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362057
[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114361912
1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116774239
2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
CID 116782816
[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362179
[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362210
[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362256
[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362042
N-[[4-cyclopropyl-2-(1-ethoxycyclopentyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367152
N-[1-[2-(1-ethoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774538
2-(1-ethoxy-4-methylcyclohexyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 116774647

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362011) is [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CCOC1(c2nc(CC(C)C)c(CN)s2)CCC(C)CC1.
What is the InChIKey of [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BXIRBDWSARCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-5-20-17(8-6-13(4)7-9-17)16-19-14(10-12(2)3)15(11-18)21-16/h12-13H,5-11,18H2,1-4H3.
What are the key properties of [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 310.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).