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

C15H28N4S — CID 82435477

IUPACN-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(CCN2CCN(C)CC2)nc1C(C)C
InChIInChI=1S/C15H28N4S/c1-12(2)15-13(11-16-3)20-14(17-15)5-6-19-9-7-18(4)8-10-19/h12,16H,5-11H2,1-4H3
InChIKeyJZFVUTUAPZCUSO-UHFFFAOYSA-N
MW296.48 g/mol
LogP1.78
Rot. Bonds6

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

N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 82435477) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID82435477
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(CCN2CCN(C)CC2)nc1C(C)C
InChIInChI=1S/C15H28N4S/c1-12(2)15-13(11-16-3)20-14(17-15)5-6-19-9-7-18(4)8-10-19/h12,16H,5-11H2,1-4H3
InChIKeyJZFVUTUAPZCUSO-UHFFFAOYSA-N
XLogP1.78
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 82435477) is N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CNCc1sc(CCN2CCN(C)CC2)nc1C(C)C.
What is the InChIKey of N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is JZFVUTUAPZCUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-12(2)15-13(11-16-3)20-14(17-15)5-6-19-9-7-18(4)8-10-19/h12,16H,5-11H2,1-4H3.
What are the key properties of N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 296.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82435477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).