N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine

C22H16N6S2 — CID 44533897

IUPACN-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
SMILESc1cc(Nc2nc(-c3ccc(-c4csc(Nc5ccncc5)n4)cc3)cs2)ccn1
InChIInChI=1S/C22H16N6S2/c1-2-16(20-14-30-22(28-20)26-18-7-11-24-12-8-18)4-3-15(1)19-13-29-21(27-19)25-17-5-9-23-10-6-17/h1-14H,(H,23,25,27)(H,24,26,28)
InChIKeyUWWNKZKBNGREQM-UHFFFAOYSA-N
MW428.55 g/mol
LogP6.21
Rot. Bonds6

About N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine

N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine (PubChem CID 44533897) has the molecular formula C22H16N6S2 and a molecular weight of 428.55 g/mol. Its IUPAC name is N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
PubChem CID44533897
Molecular FormulaC22H16N6S2
Molecular Weight428.55 g/mol
Exact Mass428.09
IUPAC NameN-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
SMILESc1cc(Nc2nc(-c3ccc(-c4csc(Nc5ccncc5)n4)cc3)cs2)ccn1
InChIInChI=1S/C22H16N6S2/c1-2-16(20-14-30-22(28-20)26-18-7-11-24-12-8-18)4-3-15(1)19-13-29-21(27-19)25-17-5-9-23-10-6-17/h1-14H,(H,23,25,27)(H,24,26,28)
InChIKeyUWWNKZKBNGREQM-UHFFFAOYSA-N
XLogP6.21
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine (CID 44533897) is N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine is c1cc(Nc2nc(-c3ccc(-c4csc(Nc5ccncc5)n4)cc3)cs2)ccn1.
What is the InChIKey of N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is UWWNKZKBNGREQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6S2/c1-2-16(20-14-30-22(28-20)26-18-7-11-24-12-8-18)4-3-15(1)19-13-29-21(27-19)25-17-5-9-23-10-6-17/h1-14H,(H,23,25,27)(H,24,26,28).
What are the key properties of N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine?
N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 428.55 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-4-[4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 44533897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).