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

C44H32N12S4 — CID 18428300

IUPACN-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
SMILESc1ccc(Nc2nc(-c3ccc(-c4csc(Nc5ccccn5)n4)cc3)cs2)nc1.c1cncc(Nc2nc(-c3cccc(-c4csc(Nc5cccnc5)n4)c3)cs2)c1
InChIInChI=1S/2C22H16N6S2/c1-4-15(19-13-29-21(27-19)25-17-6-2-8-23-11-17)10-16(5-1)20-14-30-22(28-20)26-18-7-3-9-24-12-18;1-3-11-23-19(5-1)27-21-25-17(13-29-21)15-7-9-16(10-8-15)18-14-30-22(26-18)28-20-6-2-4-12-24-20/h1-14H,(H,25,27)(H,26,28);1-14H,(H,23,25,27)(H,24,26,28)
InChIKeyPKNDBFIJJKJUHK-UHFFFAOYSA-N
MW857.09 g/mol
LogP12.42
Rot. Bonds12

About 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

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 (PubChem CID 18428300) has the molecular formula C44H32N12S4 and a molecular weight of 857.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID18428300
Molecular FormulaC44H32N12S4
Molecular Weight857.09 g/mol
Exact Mass856.18
IUPAC NameN-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
SMILESc1ccc(Nc2nc(-c3ccc(-c4csc(Nc5ccccn5)n4)cc3)cs2)nc1.c1cncc(Nc2nc(-c3cccc(-c4csc(Nc5cccnc5)n4)c3)cs2)c1
InChIInChI=1S/2C22H16N6S2/c1-4-15(19-13-29-21(27-19)25-17-6-2-8-23-11-17)10-16(5-1)20-14-30-22(28-20)26-18-7-3-9-24-12-18;1-3-11-23-19(5-1)27-21-25-17(13-29-21)15-7-9-16(10-8-15)18-14-30-22(26-18)28-20-6-2-4-12-24-20/h1-14H,(H,25,27)(H,26,28);1-14H,(H,23,25,27)(H,24,26,28)
InChIKeyPKNDBFIJJKJUHK-UHFFFAOYSA-N
XLogP12.42
TPSA151.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.09
LogP ≤ 512.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 122499792
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645487
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791509

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(Nc2nc(-c3ccc(-c4csc(Nc5ccccn5)n4)cc3)cs2)nc1.c1cncc(Nc2nc(-c3cccc(-c4csc(Nc5cccnc5)n4)c3)cs2)c1.
What is the InChIKey of 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?
The InChIKey is PKNDBFIJJKJUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N6S2/c1-4-15(19-13-29-21(27-19)25-17-6-2-8-23-11-17)10-16(5-1)20-14-30-22(28-20)26-18-7-3-9-24-12-18;1-3-11-23-19(5-1)27-21-25-17(13-29-21)15-7-9-16(10-8-15)18-14-30-22(26-18)28-20-6-2-4-12-24-20/h1-14H,(H,25,27)(H,26,28);1-14H,(H,23,25,27)(H,24,26,28).
What are the key properties of 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?
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 has a molecular weight of 857.09 g/mol, XLogP of 12.42, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 18428300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).