N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine

C29H40N6S — CID 118709439

IUPACN-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccccc5)CC4)CC3)cc2)cs1
InChIInChI=1S/C29H40N6S/c1-30-29-31-28(24-36-29)26-10-8-25(9-11-26)12-15-34-18-16-32(17-19-34)13-5-14-33-20-22-35(23-21-33)27-6-3-2-4-7-27/h2-4,6-11,24H,5,12-23H2,1H3,(H,30,31)
InChIKeyDQNCVOWTJHLZRI-UHFFFAOYSA-N
MW504.75 g/mol
LogP4.22
Rot. Bonds10

About N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine

N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 118709439) has the molecular formula C29H40N6S and a molecular weight of 504.75 g/mol. Its IUPAC name is N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine
PubChem CID118709439
Molecular FormulaC29H40N6S
Molecular Weight504.75 g/mol
Exact Mass504.30
IUPAC NameN-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccccc5)CC4)CC3)cc2)cs1
InChIInChI=1S/C29H40N6S/c1-30-29-31-28(24-36-29)26-10-8-25(9-11-26)12-15-34-18-16-32(17-19-34)13-5-14-33-20-22-35(23-21-33)27-6-3-2-4-7-27/h2-4,6-11,24H,5,12-23H2,1H3,(H,30,31)
InChIKeyDQNCVOWTJHLZRI-UHFFFAOYSA-N
XLogP4.22
TPSA37.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.75
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 131842071
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-thiazol-2-ylamine
CID 14211445
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-aminothiazole
CID 14726992
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-amino-5-methylthiazole
CID 14726996
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-methylaminothiazole
CID 14727008
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-3-ylphenyl)-1,3-thiazol-2-amine
CID 71615268
4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423074
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423092
2-N,2-N-dimethyl-6-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine
CID 89423176
4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423193
N,N-dimethyl-5-(4-{2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl}phenyl)pyridin-2-amine
CID 89423213

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine (CID 118709439) is N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine is CNc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccccc5)CC4)CC3)cc2)cs1.
What is the InChIKey of N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is DQNCVOWTJHLZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6S/c1-30-29-31-28(24-36-29)26-10-8-25(9-11-26)12-15-34-18-16-32(17-19-34)13-5-14-33-20-22-35(23-21-33)27-6-3-2-4-7-27/h2-4,6-11,24H,5,12-23H2,1H3,(H,30,31).
What are the key properties of N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine?
N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 504.75 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118709439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).