2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

C14H26N4S — CID 62437368

IUPAC2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCN1CCN(Cc2csc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C14H26N4S/c1-14(2,3)15-9-13-16-12(11-19-13)10-18-7-5-17(4)6-8-18/h11,15H,5-10H2,1-4H3
InChIKeyRUOBUVYPNYPHBZ-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.78
Rot. Bonds4

About 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62437368) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62437368
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCN1CCN(Cc2csc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C14H26N4S/c1-14(2,3)15-9-13-16-12(11-19-13)10-18-7-5-17(4)6-8-18/h11,15H,5-10H2,1-4H3
InChIKeyRUOBUVYPNYPHBZ-UHFFFAOYSA-N
XLogP1.78
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62437368) is 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CN1CCN(Cc2csc(CNC(C)(C)C)n2)CC1.
What is the InChIKey of 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is RUOBUVYPNYPHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-14(2,3)15-9-13-16-12(11-19-13)10-18-7-5-17(4)6-8-18/h11,15H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 282.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62437368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).