N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine

C42H34N8OS2 — CID 123514099

IUPACN-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2ccc(-c3csc(Nc4nc(C)ccc4-c4cc(C)nc(Nc5nc(-c6ccc(-c7cccnc7C)cc6)cs5)c4)n3)cc2)cn1
InChIInChI=1S/C42H34N8OS2/c1-25-7-17-35(40(46-25)50-42-48-37(24-53-42)30-12-8-28(9-13-30)32-16-18-39(51-4)44-22-32)33-20-26(2)45-38(21-33)49-41-47-36(23-52-41)31-14-10-29(11-15-31)34-6-5-19-43-27(34)3/h5-24H,1-4H3,(H,45,47,49)(H,46,48,50)
InChIKeyPTAQXJPJWHUOOS-UHFFFAOYSA-N
MW730.92 g/mol
LogP10.94
Rot. Bonds10

About N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine

N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 123514099) has the molecular formula C42H34N8OS2 and a molecular weight of 730.92 g/mol. Its IUPAC name is N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
PubChem CID123514099
Molecular FormulaC42H34N8OS2
Molecular Weight730.92 g/mol
Exact Mass730.23
IUPAC NameN-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2ccc(-c3csc(Nc4nc(C)ccc4-c4cc(C)nc(Nc5nc(-c6ccc(-c7cccnc7C)cc6)cs5)c4)n3)cc2)cn1
InChIInChI=1S/C42H34N8OS2/c1-25-7-17-35(40(46-25)50-42-48-37(24-53-42)30-12-8-28(9-13-30)32-16-18-39(51-4)44-22-32)33-20-26(2)45-38(21-33)49-41-47-36(23-52-41)31-14-10-29(11-15-31)34-6-5-19-43-27(34)3/h5-24H,1-4H3,(H,45,47,49)(H,46,48,50)
InChIKeyPTAQXJPJWHUOOS-UHFFFAOYSA-N
XLogP10.94
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 510.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine 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

5-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57867459
4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615459
4-[4-[6-(2-methoxyethoxy)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615460
4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427080
N-(6-methyl-2-pyridinyl)-4-[4-(2-propan-2-yloxy-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89423316
N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
CID 89427074
N-[4-(3-Methoxyphenyl)-1,3-thiazol-2-YL]-4-methylpyridin-2-amine
CID 50838093
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 50838235
4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-[4-[[5-[2-[isoquinolin-3-yl(prop-2-ynyl)amino]-1,3-thiazol-4-yl]-2-methoxyphenoxy]methyl]-6-methyl-2-pyridinyl]-1,3-thiazol-2-amine
CID 123277234
N-[4-(2,6-difluorophenoxy)-2-pyridinyl]-4,5-dipyridin-4-yl-1,3-thiazol-2-amine
CID 141617150
4-(3-methoxybenzyl)-N-(3-methylpyridin-2-yl)thiazol-2-amine hydrochloride
CID 72720314
5-[2-(4-Methoxyanilino)-4-pyridinyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 10134050

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine (CID 123514099) is N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine is COc1ccc(-c2ccc(-c3csc(Nc4nc(C)ccc4-c4cc(C)nc(Nc5nc(-c6ccc(-c7cccnc7C)cc6)cs5)c4)n3)cc2)cn1.
What is the InChIKey of N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is PTAQXJPJWHUOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N8OS2/c1-25-7-17-35(40(46-25)50-42-48-37(24-53-42)30-12-8-28(9-13-30)32-16-18-39(51-4)44-22-32)33-20-26(2)45-38(21-33)49-41-47-36(23-52-41)31-14-10-29(11-15-31)34-6-5-19-43-27(34)3/h5-24H,1-4H3,(H,45,47,49)(H,46,48,50).
What are the key properties of N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine?
N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 730.92 g/mol, XLogP of 10.94, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[4-[4-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(2-methyl-3-pyridinyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 123514099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).