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

C11H21N3OS — CID 107509657

IUPAC5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(c1nc(COC)c(CN)s1)C(C)C
InChIInChI=1S/C11H21N3OS/c1-5-14(8(2)3)11-13-9(7-15-4)10(6-12)16-11/h8H,5-7,12H2,1-4H3
InChIKeyFXARAWAXNVUDRR-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.98
Rot. Bonds6

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

5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 107509657) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID107509657
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(c1nc(COC)c(CN)s1)C(C)C
InChIInChI=1S/C11H21N3OS/c1-5-14(8(2)3)11-13-9(7-15-4)10(6-12)16-11/h8H,5-7,12H2,1-4H3
InChIKeyFXARAWAXNVUDRR-UHFFFAOYSA-N
XLogP1.98
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-butan-2-yl-N-ethyl-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107509729
5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509659
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
5-(aminomethyl)-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766923
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
5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510221
N-butan-2-yl-N-ethyl-4-(methoxymethyl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 107509731
[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
CID 114361701
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
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-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 107509657) is 5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine is CCN(c1nc(COC)c(CN)s1)C(C)C.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is FXARAWAXNVUDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-14(8(2)3)11-13-9(7-15-4)10(6-12)16-11/h8H,5-7,12H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 243.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 107509657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).