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

C13H24N4OS — CID 107509510

IUPAC5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)C2CCN(C)CC2)sc1CN
InChIInChI=1S/C13H24N4OS/c1-16-6-4-10(5-7-16)17(2)13-15-11(9-18-3)12(8-14)19-13/h10H,4-9,14H2,1-3H3
InChIKeyQLWGLYCCJVYEPP-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.28
Rot. Bonds5

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

5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 107509510) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID107509510
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)C2CCN(C)CC2)sc1CN
InChIInChI=1S/C13H24N4OS/c1-16-6-4-10(5-7-16)17(2)13-15-11(9-18-3)12(8-14)19-13/h10H,4-9,14H2,1-3H3
InChIKeyQLWGLYCCJVYEPP-UHFFFAOYSA-N
XLogP1.28
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510221
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 107510374
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 107510376
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
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 107509926
N'-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510417
5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234453
5-(aminomethyl)-N-ethyl-4-(methoxymethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 107509657
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 107510634
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82441701

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 107509510) is 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine is COCc1nc(N(C)C2CCN(C)CC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is QLWGLYCCJVYEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-16-6-4-10(5-7-16)17(2)13-15-11(9-18-3)12(8-14)19-13/h10H,4-9,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 284.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107509510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).