[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone

C12H20N4OS — CID 66378865

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(CN)n2)CC1(C)C
InChIInChI=1S/C12H20N4OS/c1-12(2)8-16(5-4-15(12)3)11(17)9-7-18-10(6-13)14-9/h7H,4-6,8,13H2,1-3H3
InChIKeyNLWJHZFYYZMNIY-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.77
Rot. Bonds2

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 66378865) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID66378865
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(CN)n2)CC1(C)C
InChIInChI=1S/C12H20N4OS/c1-12(2)8-16(5-4-15(12)3)11(17)9-7-18-10(6-13)14-9/h7H,4-6,8,13H2,1-3H3
InChIKeyNLWJHZFYYZMNIY-UHFFFAOYSA-N
XLogP0.77
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 66378865) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2csc(CN)n2)CC1(C)C.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is NLWJHZFYYZMNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(2)8-16(5-4-15(12)3)11(17)9-7-18-10(6-13)14-9/h7H,4-6,8,13H2,1-3H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 268.39 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 66378865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).