4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine

C22H26N4S — CID 58910616

IUPAC4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccc(-c3csc(NCCc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C22H26N4S/c1-25-13-15-26(16-14-25)20-9-7-19(8-10-20)21-17-27-22(24-21)23-12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,23,24)
InChIKeyNUKBTJFIGCALSQ-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.22
Rot. Bonds6

About 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine

4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 58910616) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID58910616
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC Name4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccc(-c3csc(NCCc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C22H26N4S/c1-25-13-15-26(16-14-25)20-9-7-19(8-10-20)21-17-27-22(24-21)23-12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,23,24)
InChIKeyNUKBTJFIGCALSQ-UHFFFAOYSA-N
XLogP4.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 58910720
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
4-[2-(2-pyridin-3-ylethylamino)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 134385028
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-phenyl-1,3-thiazol-2-amine
CID 133371007

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 58910616) is 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine is CN1CCN(c2ccc(-c3csc(NCCc4ccccc4)n3)cc2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is NUKBTJFIGCALSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-25-13-15-26(16-14-25)20-9-7-19(8-10-20)21-17-27-22(24-21)23-12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,23,24).
What are the key properties of 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine?
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 378.55 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).