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

C43H37N9S2 — CID 123794088

IUPACN-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2ccc(C)nc2Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)cc(Nc2nc(-c3ccc(-c4ccncc4C)cc3)cs2)n1
InChIInChI=1S/C43H37N9S2/c1-26-22-44-19-18-35(26)30-9-13-32(14-10-30)37-24-53-42(48-37)50-39-21-34(20-28(3)46-39)36-16-6-27(2)47-41(36)51-43-49-38(25-54-43)31-11-7-29(8-12-31)33-15-17-40(45-23-33)52(4)5/h6-25H,1-5H3,(H,46,48,50)(H,47,49,51)
InChIKeyIRHNDNRHVOPMOS-UHFFFAOYSA-N
MW743.97 g/mol
LogP10.99
Rot. Bonds10

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

N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 123794088) has the molecular formula C43H37N9S2 and a molecular weight of 743.97 g/mol. Its IUPAC name is N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
PubChem CID123794088
Molecular FormulaC43H37N9S2
Molecular Weight743.97 g/mol
Exact Mass743.26
IUPAC NameN-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2ccc(C)nc2Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)cc(Nc2nc(-c3ccc(-c4ccncc4C)cc3)cs2)n1
InChIInChI=1S/C43H37N9S2/c1-26-22-44-19-18-35(26)30-9-13-32(14-10-30)37-24-53-42(48-37)50-39-21-34(20-28(3)46-39)36-16-6-27(2)47-41(36)51-43-49-38(25-54-43)31-11-7-29(8-12-31)33-15-17-40(45-23-33)52(4)5/h6-25H,1-5H3,(H,46,48,50)(H,47,49,51)
InChIKeyIRHNDNRHVOPMOS-UHFFFAOYSA-N
XLogP10.99
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.97
LogP ≤ 510.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Launch Full Analysis

Related Compounds

4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-(1-(S)-Phenylethyl)amino-4-pyridinyl)thiazole
CID 10390073
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 1075887
N-[5-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]-6-piperazin-1-yl pyridin-2-amine
CID 15979138
N-(4-methyl-2-pyridinyl)-4-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazol-2-amine
CID 46182714
N-isoquinolin-3-yl-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 51002833
N-(4-piperazin-1-yl-2-pyridinyl)-5-(5-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 57867516
N-(6-methyl-2-pyridinyl)-4-(4-pyridin-3-ylphenyl)-1,3-thiazol-2-amine
CID 71615268
4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615269
4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423074
2-N,2-N-dimethyl-6-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine
CID 89423176
4-[4-[2-(dimethylamino)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423193

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine (CID 123794088) is N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine is Cc1cc(-c2ccc(C)nc2Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)cc(Nc2nc(-c3ccc(-c4ccncc4C)cc3)cs2)n1.
What is the InChIKey of N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IRHNDNRHVOPMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N9S2/c1-26-22-44-19-18-35(26)30-9-13-32(14-10-30)37-24-53-42(48-37)50-39-21-34(20-28(3)46-39)36-16-6-27(2)47-41(36)51-43-49-38(25-54-43)31-11-7-29(8-12-31)33-15-17-40(45-23-33)52(4)5/h6-25H,1-5H3,(H,46,48,50)(H,47,49,51).
What are the key properties of N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine?
N-[4-[2-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 743.97 g/mol, XLogP of 10.99, 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-(dimethylamino)-3-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-6-methyl-3-pyridinyl]-6-methyl-2-pyridinyl]-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 123794088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).