N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine

C25H28N8S2 — CID 121371839

IUPACN,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)c2ccc(/N=N/c3nccs3)c(C)c2)ccc1/N=N/c1nccs1
InChIInChI=1S/C25H28N8S2/c1-18-16-20(6-8-22(18)28-30-24-26-10-14-34-24)32(3)12-5-13-33(4)21-7-9-23(19(2)17-21)29-31-25-27-11-15-35-25/h6-11,14-17H,5,12-13H2,1-4H3/b30-28+,31-29+
InChIKeyICFAGSDXZHSZAC-FUEWEDNTSA-N
MW504.69 g/mol
LogP8.01
Rot. Bonds10

About N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine

N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine (PubChem CID 121371839) has the molecular formula C25H28N8S2 and a molecular weight of 504.69 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine
PubChem CID121371839
Molecular FormulaC25H28N8S2
Molecular Weight504.69 g/mol
Exact Mass504.19
IUPAC NameN,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine
SMILESCc1cc(N(C)CCCN(C)c2ccc(/N=N/c3nccs3)c(C)c2)ccc1/N=N/c1nccs1
InChIInChI=1S/C25H28N8S2/c1-18-16-20(6-8-22(18)28-30-24-26-10-14-34-24)32(3)12-5-13-33(4)21-7-9-23(19(2)17-21)29-31-25-27-11-15-35-25/h6-11,14-17H,5,12-13H2,1-4H3/b30-28+,31-29+
InChIKeyICFAGSDXZHSZAC-FUEWEDNTSA-N
XLogP8.01
TPSA81.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.69
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine
CID 54584031
Thiazolium, 3-methyl-2-[2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, methyl sulfate (1:1)
CID 172727
Benzenamine, N,N-diethyl-4-(2-(2-thiazolyl)diazenyl)-
CID 104065
Thiazolium, 3-methyl-2-[2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, chloride (1:1)
CID 175172
Bis(3-methyl-2-((p-(N-methylanilino)phenyl)azo)thiazolium) tetrachlorozincate(2-)
CID 44145461
Dimethylthiazol-2-yl-2,5 diphenyl-tetrazol
CID 53640786
N-benzyl-N-phenyl-1,3-thiazol-2-amine
CID 66835487
Benzenamine, N,N-diethyl-3-methyl-4-(2-thiazolylazo)-
CID 116815
Thiazolium, 2-(2-(4-(diethylamino)phenyl)diazenyl)-3-methyl-, (T-4)-tetrachlorozincate(2-) (2:1)
CID 73556053
N-benzyl-N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 172728
N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-phenylaniline
CID 16205154
[2-Methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene
CID 88875056

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine (CID 121371839) is N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine is Cc1cc(N(C)CCCN(C)c2ccc(/N=N/c3nccs3)c(C)c2)ccc1/N=N/c1nccs1.
What is the InChIKey of N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine?
The InChIKey is ICFAGSDXZHSZAC-FUEWEDNTSA-N. The full InChI is InChI=1S/C25H28N8S2/c1-18-16-20(6-8-22(18)28-30-24-26-10-14-34-24)32(3)12-5-13-33(4)21-7-9-23(19(2)17-21)29-31-25-27-11-15-35-25/h6-11,14-17H,5,12-13H2,1-4H3/b30-28+,31-29+.
What are the key properties of N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine?
N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine has a molecular weight of 504.69 g/mol, XLogP of 8.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 121371839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).