2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H30N4S — CID 79381520

IUPAC2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)c1nc(N2CCN(C)CC2)sc1CNC(C)(C)C
InChIInChI=1S/C16H30N4S/c1-12(2)14-13(11-17-16(3,4)5)21-15(18-14)20-9-7-19(6)8-10-20/h12,17H,7-11H2,1-6H3
InChIKeyQZSNSCATXQSCGI-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 79381520) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID79381520
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)c1nc(N2CCN(C)CC2)sc1CNC(C)(C)C
InChIInChI=1S/C16H30N4S/c1-12(2)14-13(11-17-16(3,4)5)21-15(18-14)20-9-7-19(6)8-10-20/h12,17H,7-11H2,1-6H3
InChIKeyQZSNSCATXQSCGI-UHFFFAOYSA-N
XLogP2.91
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 79381520) is 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)c1nc(N2CCN(C)CC2)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is QZSNSCATXQSCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-12(2)14-13(11-17-16(3,4)5)21-15(18-14)20-9-7-19(6)8-10-20/h12,17H,7-11H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 79381520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).