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

C11H20N4S — CID 80506443

IUPAC[1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCc1nc(N2CCN(C)CC2CN)sc1C
InChIInChI=1S/C11H20N4S/c1-8-9(2)16-11(13-8)15-5-4-14(3)7-10(15)6-12/h10H,4-7,12H2,1-3H3
InChIKeyLRYIGTQKWOPYMZ-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.84
Rot. Bonds2

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

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80506443) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80506443
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCc1nc(N2CCN(C)CC2CN)sc1C
InChIInChI=1S/C11H20N4S/c1-8-9(2)16-11(13-8)15-5-4-14(3)7-10(15)6-12/h10H,4-7,12H2,1-3H3
InChIKeyLRYIGTQKWOPYMZ-UHFFFAOYSA-N
XLogP0.84
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine (CID 80506443) is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine is Cc1nc(N2CCN(C)CC2CN)sc1C.
What is the InChIKey of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is LRYIGTQKWOPYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8-9(2)16-11(13-8)15-5-4-14(3)7-10(15)6-12/h10H,4-7,12H2,1-3H3.
What are the key properties of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine?
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 240.38 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).