5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine

C12H23N3OS — CID 107509729

IUPAC5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
SMILESCCC(C)N(CC)c1nc(COC)c(CN)s1
InChIInChI=1S/C12H23N3OS/c1-5-9(3)15(6-2)12-14-10(8-16-4)11(7-13)17-12/h9H,5-8,13H2,1-4H3
InChIKeyFYRDIFYCLAGDNP-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.37
Rot. Bonds7

About 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine (PubChem CID 107509729) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
PubChem CID107509729
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
SMILESCCC(C)N(CC)c1nc(COC)c(CN)s1
InChIInChI=1S/C12H23N3OS/c1-5-9(3)15(6-2)12-14-10(8-16-4)11(7-13)17-12/h9H,5-8,13H2,1-4H3
InChIKeyFYRDIFYCLAGDNP-UHFFFAOYSA-N
XLogP2.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509657
N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 107509731
5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 107510634
N'-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510417
N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509659
5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510221
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191924
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
N-butan-2-yl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768131
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509510

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine (CID 107509729) is 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine is CCC(C)N(CC)c1nc(COC)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is FYRDIFYCLAGDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-9(3)15(6-2)12-14-10(8-16-4)11(7-13)17-12/h9H,5-8,13H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107509729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).