N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine

C12H22N4S — CID 83009773

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine
SMILESCc1nc(C(C)NN2CCN(C)CC2)c(C)s1
InChIInChI=1S/C12H22N4S/c1-9(12-10(2)17-11(3)13-12)14-16-7-5-15(4)6-8-16/h9,14H,5-8H2,1-4H3
InChIKeyJTNNCXWHJTTXAZ-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.57
Rot. Bonds3

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine (PubChem CID 83009773) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine
PubChem CID83009773
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine
SMILESCc1nc(C(C)NN2CCN(C)CC2)c(C)s1
InChIInChI=1S/C12H22N4S/c1-9(12-10(2)17-11(3)13-12)14-16-7-5-15(4)6-8-16/h9,14H,5-8H2,1-4H3
InChIKeyJTNNCXWHJTTXAZ-UHFFFAOYSA-N
XLogP1.57
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine (CID 83009773) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine is Cc1nc(C(C)NN2CCN(C)CC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine?
The InChIKey is JTNNCXWHJTTXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(12-10(2)17-11(3)13-12)14-16-7-5-15(4)6-8-16/h9,14H,5-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine has a molecular weight of 254.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).