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

C22H34N4S — CID 42604517

IUPACN-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCN1CCN(c2ncc(CCN(C)CCCc3ccccc3)s2)CC1
InChIInChI=1S/C22H34N4S/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,19H,3,7,10-18H2,1-2H3
InChIKeyLHFFBQAOSCEDBC-UHFFFAOYSA-N
MW386.61 g/mol
LogP3.78
Rot. Bonds10

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

N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 42604517) has the molecular formula C22H34N4S and a molecular weight of 386.61 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID42604517
Molecular FormulaC22H34N4S
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC NameN-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCN1CCN(c2ncc(CCN(C)CCCc3ccccc3)s2)CC1
InChIInChI=1S/C22H34N4S/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,19H,3,7,10-18H2,1-2H3
InChIKeyLHFFBQAOSCEDBC-UHFFFAOYSA-N
XLogP3.78
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 42604517) is N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCN1CCN(c2ncc(CCN(C)CCCc3ccccc3)s2)CC1.
What is the InChIKey of N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is LHFFBQAOSCEDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4S/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20/h4-6,8-9,19H,3,7,10-18H2,1-2H3.
What are the key properties of N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 386.61 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 42604517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).