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

C14H26N4OS — CID 107510374

IUPAC5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CC2CCN(C)CC2)sc1CN
InChIInChI=1S/C14H26N4OS/c1-17-6-4-11(5-7-17)9-18(2)14-16-12(10-19-3)13(8-15)20-14/h11H,4-10,15H2,1-3H3
InChIKeyWKIYBRKMCDQHRU-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.53
Rot. Bonds6

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

5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 107510374) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID107510374
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CC2CCN(C)CC2)sc1CN
InChIInChI=1S/C14H26N4OS/c1-17-6-4-11(5-7-17)9-18(2)14-16-12(10-19-3)13(8-15)20-14/h11H,4-10,15H2,1-3H3
InChIKeyWKIYBRKMCDQHRU-UHFFFAOYSA-N
XLogP1.53
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine (CID 107510374) is 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine is COCc1nc(N(C)CC2CCN(C)CC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WKIYBRKMCDQHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-17-6-4-11(5-7-17)9-18(2)14-16-12(10-19-3)13(8-15)20-14/h11H,4-10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine?
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 298.46 g/mol, XLogP of 1.53, 6 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)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107510374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).