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

C12H22N4S — CID 63339957

IUPAC2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCc1csc(N2CCN(C(C)(C)CN)CC2)n1
InChIInChI=1S/C12H22N4S/c1-10-8-17-11(14-10)15-4-6-16(7-5-15)12(2,3)9-13/h8H,4-7,9,13H2,1-3H3
InChIKeyCNJSAWZZURDAEM-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.31
Rot. Bonds3

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

2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 63339957) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID63339957
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCc1csc(N2CCN(C(C)(C)CN)CC2)n1
InChIInChI=1S/C12H22N4S/c1-10-8-17-11(14-10)15-4-6-16(7-5-15)12(2,3)9-13/h8H,4-7,9,13H2,1-3H3
InChIKeyCNJSAWZZURDAEM-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine (CID 63339957) is 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine is Cc1csc(N2CCN(C(C)(C)CN)CC2)n1.
What is the InChIKey of 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is CNJSAWZZURDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10-8-17-11(14-10)15-4-6-16(7-5-15)12(2,3)9-13/h8H,4-7,9,13H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 63339957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).