1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine

C46H33BrN10S4 — CID 157175676

IUPAC1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESBrc1sc(Nc2cccc(Nc3nc(-c4ccccc4)cs3)c2)nc1-c1ccccc1.c1cc(Nc2nc(-c3cccnc3)cs2)cc(Nc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C24H17BrN4S2.C22H16N6S2/c25-22-21(17-10-5-2-6-11-17)29-24(31-22)27-19-13-7-12-18(14-19)26-23-28-20(15-30-23)16-8-3-1-4-9-16;1-6-17(25-21-27-19(13-29-21)15-4-2-8-23-11-15)10-18(7-1)26-22-28-20(14-30-22)16-5-3-9-24-12-16/h1-15H,(H,26,28)(H,27,29);1-14H,(H,25,27)(H,26,28)
InChIKeyANYYPQDIRKUDQK-UHFFFAOYSA-N
MW934.01 g/mol
LogP14.39
Rot. Bonds12

About 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine

1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine (PubChem CID 157175676) has the molecular formula C46H33BrN10S4 and a molecular weight of 934.01 g/mol. Its IUPAC name is 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
PubChem CID157175676
Molecular FormulaC46H33BrN10S4
Molecular Weight934.01 g/mol
Exact Mass932.10
IUPAC Name1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESBrc1sc(Nc2cccc(Nc3nc(-c4ccccc4)cs3)c2)nc1-c1ccccc1.c1cc(Nc2nc(-c3cccnc3)cs2)cc(Nc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C24H17BrN4S2.C22H16N6S2/c25-22-21(17-10-5-2-6-11-17)29-24(31-22)27-19-13-7-12-18(14-19)26-23-28-20(15-30-23)16-8-3-1-4-9-16;1-6-17(25-21-27-19(13-29-21)15-4-2-8-23-11-15)10-18(7-1)26-22-28-20(14-30-22)16-5-3-9-24-12-16/h1-15H,(H,26,28)(H,27,29);1-14H,(H,25,27)(H,26,28)
InChIKeyANYYPQDIRKUDQK-UHFFFAOYSA-N
XLogP14.39
TPSA125.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.01
LogP ≤ 514.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44533896
N-[2-[3-[4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]ethyl]-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
CID 134241813
4-(2-amino-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-bromopyridin-2-amine;4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 157177769
4-(6-amino-3-pyridinyl)-5-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(6-amino-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 159742304
4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine
CID 139227748
N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine
CID 139227756
N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 44533897
1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 9802672
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300
1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;dihydrobromide
CID 88185991
4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423054
azane;4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423212

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine (CID 157175676) is 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine is Brc1sc(Nc2cccc(Nc3nc(-c4ccccc4)cs3)c2)nc1-c1ccccc1.c1cc(Nc2nc(-c3cccnc3)cs2)cc(Nc2nc(-c3cccnc3)cs2)c1.
What is the InChIKey of 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The InChIKey is ANYYPQDIRKUDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN4S2.C22H16N6S2/c25-22-21(17-10-5-2-6-11-17)29-24(31-22)27-19-13-7-12-18(14-19)26-23-28-20(15-30-23)16-8-3-1-4-9-16;1-6-17(25-21-27-19(13-29-21)15-4-2-8-23-11-15)10-18(7-1)26-22-28-20(14-30-22)16-5-3-9-24-12-16/h1-15H,(H,26,28)(H,27,29);1-14H,(H,25,27)(H,26,28).
What are the key properties of 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine has a molecular weight of 934.01 g/mol, XLogP of 14.39, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;3-N-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 157175676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).