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

C12H22N4S — CID 80506226

IUPAC[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine
SMILESCc1nc(CN2CCN(C)CC2CN)sc1C
InChIInChI=1S/C12H22N4S/c1-9-10(2)17-12(14-9)8-16-5-4-15(3)7-11(16)6-13/h11H,4-8,13H2,1-3H3
InChIKeyVNSXBBQAPCLVAQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP0.83
Rot. Bonds3

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

[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 80506226) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID80506226
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine
SMILESCc1nc(CN2CCN(C)CC2CN)sc1C
InChIInChI=1S/C12H22N4S/c1-9-10(2)17-12(14-9)8-16-5-4-15(3)7-11(16)6-13/h11H,4-8,13H2,1-3H3
InChIKeyVNSXBBQAPCLVAQ-UHFFFAOYSA-N
XLogP0.83
TPSA45.39 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 ≤ 50.83
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)methyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine (CID 80506226) is [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine is Cc1nc(CN2CCN(C)CC2CN)sc1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is VNSXBBQAPCLVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9-10(2)17-12(14-9)8-16-5-4-15(3)7-11(16)6-13/h11H,4-8,13H2,1-3H3.
What are the key properties of [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 0.83, 3 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)methyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).