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

C21H24N4OS — CID 58910966

IUPACN-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccc(N4CCN(C)CC4)cc3)cs2)c1
InChIInChI=1S/C21H24N4OS/c1-24-10-12-25(13-11-24)18-8-6-16(7-9-18)20-15-27-21(23-20)22-17-4-3-5-19(14-17)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,23)
InChIKeyKFLFYCCJRQOFQZ-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.31
Rot. Bonds5

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

N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58910966) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID58910966
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccc(N4CCN(C)CC4)cc3)cs2)c1
InChIInChI=1S/C21H24N4OS/c1-24-10-12-25(13-11-24)18-8-6-16(7-9-18)20-15-27-21(23-20)22-17-4-3-5-19(14-17)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,23)
InChIKeyKFLFYCCJRQOFQZ-UHFFFAOYSA-N
XLogP4.31
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 58910720
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9264375
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine (CID 58910966) is N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3ccc(N4CCN(C)CC4)cc3)cs2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is KFLFYCCJRQOFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-24-10-12-25(13-11-24)18-8-6-16(7-9-18)20-15-27-21(23-20)22-17-4-3-5-19(14-17)26-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,23).
What are the key properties of N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 380.52 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58910966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).