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

C24H24N4S — CID 58910720

IUPAC4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccc(-c3csc(Nc4ccc5ccccc5c4)n3)cc2)CC1
InChIInChI=1S/C24H24N4S/c1-27-12-14-28(15-13-27)22-10-7-19(8-11-22)23-17-29-24(26-23)25-21-9-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3,(H,25,26)
InChIKeyCJSHRVNOOMFLGD-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.46
Rot. Bonds4

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

4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 58910720) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID58910720
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCN1CCN(c2ccc(-c3csc(Nc4ccc5ccccc5c4)n3)cc2)CC1
InChIInChI=1S/C24H24N4S/c1-27-12-14-28(15-13-27)22-10-7-19(8-11-22)23-17-29-24(26-23)25-21-9-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3,(H,25,26)
InChIKeyCJSHRVNOOMFLGD-UHFFFAOYSA-N
XLogP5.46
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 58910616
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910706
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58911009

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine (CID 58910720) is 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine is CN1CCN(c2ccc(-c3csc(Nc4ccc5ccccc5c4)n3)cc2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is CJSHRVNOOMFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-27-12-14-28(15-13-27)22-10-7-19(8-11-22)23-17-29-24(26-23)25-21-9-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3,(H,25,26).
What are the key properties of 4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine?
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 400.55 g/mol, XLogP of 5.46, 4 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-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58910720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).