[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine

C13H24N4OS — CID 82441701

IUPAC[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CCN2CCN(C)CC2)sc1CN
InChIInChI=1S/C13H24N4OS/c1-16-5-7-17(8-6-16)4-3-13-15-11(10-18-2)12(9-14)19-13/h3-10,14H2,1-2H3
InChIKeyDIHRXOODDAAIAR-UHFFFAOYSA-N
MW284.43 g/mol
LogP0.54
Rot. Bonds6

About [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine

[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82441701) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82441701
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CCN2CCN(C)CC2)sc1CN
InChIInChI=1S/C13H24N4OS/c1-16-5-7-17(8-6-16)4-3-13-15-11(10-18-2)12(9-14)19-13/h3-10,14H2,1-2H3
InChIKeyDIHRXOODDAAIAR-UHFFFAOYSA-N
XLogP0.54
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine (CID 82441701) is [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine is COCc1nc(CCN2CCN(C)CC2)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is DIHRXOODDAAIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-16-5-7-17(8-6-16)4-3-13-15-11(10-18-2)12(9-14)19-13/h3-10,14H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 284.43 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82441701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).