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

C22H26N4S — CID 59626916

IUPACN-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(N4CCN(C)CC4)cc3)cs2)cc1C
InChIInChI=1S/C22H26N4S/c1-16-4-7-19(14-17(16)2)23-22-24-21(15-27-22)18-5-8-20(9-6-18)26-12-10-25(3)11-13-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)
InChIKeySMYJSEKJLVHNTP-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.92
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 59626916) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID59626916
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC NameN-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(N4CCN(C)CC4)cc3)cs2)cc1C
InChIInChI=1S/C22H26N4S/c1-16-4-7-19(14-17(16)2)23-22-24-21(15-27-22)18-5-8-20(9-6-18)26-12-10-25(3)11-13-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24)
InChIKeySMYJSEKJLVHNTP-UHFFFAOYSA-N
XLogP4.92
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 58910720
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910706
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine (CID 59626916) is N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc(N4CCN(C)CC4)cc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is SMYJSEKJLVHNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-16-4-7-19(14-17(16)2)23-22-24-21(15-27-22)18-5-8-20(9-6-18)26-12-10-25(3)11-13-26/h4-9,14-15H,10-13H2,1-3H3,(H,23,24).
What are the key properties of N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 378.55 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59626916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).