5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine

C15H27N3OS — CID 107510221

IUPAC5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCC1CCC(N(C)c2nc(COC)c(CN)s2)CC1
InChIInChI=1S/C15H27N3OS/c1-4-11-5-7-12(8-6-11)18(2)15-17-13(10-19-3)14(9-16)20-15/h11-12H,4-10,16H2,1-3H3
InChIKeyUAFHGWDNEJLMRU-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.15
Rot. Bonds6

About 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 107510221) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID107510221
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCC1CCC(N(C)c2nc(COC)c(CN)s2)CC1
InChIInChI=1S/C15H27N3OS/c1-4-11-5-7-12(8-6-11)18(2)15-17-13(10-19-3)14(9-16)20-15/h11-12H,4-10,16H2,1-3H3
InChIKeyUAFHGWDNEJLMRU-UHFFFAOYSA-N
XLogP3.15
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509510
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
5-(aminomethyl)-N-(cyclobutylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510290
4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
CID 63519386
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 107510374
5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509657
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 107509875
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 107510376
5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107509729
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510406
N'-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510417

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine (CID 107510221) is 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine is CCC1CCC(N(C)c2nc(COC)c(CN)s2)CC1.
What is the InChIKey of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UAFHGWDNEJLMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-11-5-7-12(8-6-11)18(2)15-17-13(10-19-3)14(9-16)20-15/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107510221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).