1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine

C13H24N4S — CID 64541877

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1nc(C)c(CNCC2CN(C)CCN2C)s1
InChIInChI=1S/C13H24N4S/c1-10-13(18-11(2)15-10)8-14-7-12-9-16(3)5-6-17(12)4/h12,14H,5-9H2,1-4H3
InChIKeyGBPJIASFVKVUNW-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.10
Rot. Bonds4

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

1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 64541877) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID64541877
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1nc(C)c(CNCC2CN(C)CCN2C)s1
InChIInChI=1S/C13H24N4S/c1-10-13(18-11(2)15-10)8-14-7-12-9-16(3)5-6-17(12)4/h12,14H,5-9H2,1-4H3
InChIKeyGBPJIASFVKVUNW-UHFFFAOYSA-N
XLogP1.10
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine (CID 64541877) is 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1nc(C)c(CNCC2CN(C)CCN2C)s1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is GBPJIASFVKVUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10-13(18-11(2)15-10)8-14-7-12-9-16(3)5-6-17(12)4/h12,14H,5-9H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 268.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 64541877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).