N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine

C20H20N4O2S — CID 58911009

IUPACN-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1cc2c(cc1Nc1nc(-c3ccc(N4CCNCC4)cc3)cs1)OCO2
InChIInChI=1S/C20H20N4O2S/c1-4-16(24-9-7-21-8-10-24)5-2-14(1)17-12-27-20(23-17)22-15-3-6-18-19(11-15)26-13-25-18/h1-6,11-12,21H,7-10,13H2,(H,22,23)
InChIKeyGJCXEOSDIJBUOS-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.69
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine

N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 58911009) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID58911009
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESc1cc2c(cc1Nc1nc(-c3ccc(N4CCNCC4)cc3)cs1)OCO2
InChIInChI=1S/C20H20N4O2S/c1-4-16(24-9-7-21-8-10-24)5-2-14(1)17-12-27-20(23-17)22-15-3-6-18-19(11-15)26-13-25-18/h1-6,11-12,21H,7-10,13H2,(H,22,23)
InChIKeyGJCXEOSDIJBUOS-UHFFFAOYSA-N
XLogP3.69
TPSA58.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910672
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-(1,3-benzodioxol-5-yl)-4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-amine
CID 84564736
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795
N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214659
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-naphthalen-2-yl-1,3-thiazol-2-amine
CID 58910720
4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 58910493
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
2-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-4-chlorophenol
CID 84564796

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine (CID 58911009) is N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine is c1cc2c(cc1Nc1nc(-c3ccc(N4CCNCC4)cc3)cs1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is GJCXEOSDIJBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-4-16(24-9-7-21-8-10-24)5-2-14(1)17-12-27-20(23-17)22-15-3-6-18-19(11-15)26-13-25-18/h1-6,11-12,21H,7-10,13H2,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 380.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58911009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).