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

C22H34N4S — CID 91218642

IUPAC2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCN1CCN(CC(NCC(C)(C)c2ccccc2)c2cncs2)CC1
InChIInChI=1S/C22H34N4S/c1-4-10-25-11-13-26(14-12-25)16-20(21-15-23-18-27-21)24-17-22(2,3)19-8-6-5-7-9-19/h5-9,15,18,20,24H,4,10-14,16-17H2,1-3H3
InChIKeyYTHGUFJHCCZLFY-UHFFFAOYSA-N
MW386.61 g/mol
LogP3.78
Rot. Bonds9

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

2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 91218642) has the molecular formula C22H34N4S and a molecular weight of 386.61 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID91218642
Molecular FormulaC22H34N4S
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCN1CCN(CC(NCC(C)(C)c2ccccc2)c2cncs2)CC1
InChIInChI=1S/C22H34N4S/c1-4-10-25-11-13-26(14-12-25)16-20(21-15-23-18-27-21)24-17-22(2,3)19-8-6-5-7-9-19/h5-9,15,18,20,24H,4,10-14,16-17H2,1-3H3
InChIKeyYTHGUFJHCCZLFY-UHFFFAOYSA-N
XLogP3.78
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 91218642) is 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCN1CCN(CC(NCC(C)(C)c2ccccc2)c2cncs2)CC1.
What is the InChIKey of 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is YTHGUFJHCCZLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4S/c1-4-10-25-11-13-26(14-12-25)16-20(21-15-23-18-27-21)24-17-22(2,3)19-8-6-5-7-9-19/h5-9,15,18,20,24H,4,10-14,16-17H2,1-3H3.
What are the key properties of 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 386.61 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-[2-(4-propylpiperazin-1-yl)-1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 91218642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).