N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine

C27H19N7S2 — CID 139227756

IUPACN-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine
SMILESc1cc(Nc2nc(-c3ccc(-c4cncc(-c5csc(Nc6ccncc6)n5)c4)cc3)cs2)ccn1
InChIInChI=1S/C27H19N7S2/c1-3-19(24-16-35-26(33-24)31-22-5-9-28-10-6-22)4-2-18(1)20-13-21(15-30-14-20)25-17-36-27(34-25)32-23-7-11-29-12-8-23/h1-17H,(H,28,31,33)(H,29,32,34)
InChIKeyDYRMOXFCHJJYFE-UHFFFAOYSA-N
MW505.63 g/mol
LogP7.27
Rot. Bonds7

About N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine

N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 139227756) has the molecular formula C27H19N7S2 and a molecular weight of 505.63 g/mol. Its IUPAC name is N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine
PubChem CID139227756
Molecular FormulaC27H19N7S2
Molecular Weight505.63 g/mol
Exact Mass505.11
IUPAC NameN-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine
SMILESc1cc(Nc2nc(-c3ccc(-c4cncc(-c5csc(Nc6ccncc6)n5)c4)cc3)cs2)ccn1
InChIInChI=1S/C27H19N7S2/c1-3-19(24-16-35-26(33-24)31-22-5-9-28-10-6-22)4-2-18(1)20-13-21(15-30-14-20)25-17-36-27(34-25)32-23-7-11-29-12-8-23/h1-17H,(H,28,31,33)(H,29,32,34)
InChIKeyDYRMOXFCHJJYFE-UHFFFAOYSA-N
XLogP7.27
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.63
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

Stf-62247
CID 704473
Timegadine
CID 68902
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
N-(4-tert-butylthiazol-2-yl)quinolin-5-amine
CID 9900444
4-phenyl-N-(3-pyridinyl)-2-thiazolamine
CID 697807
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 704601
N-(4-(pyridin-3-yl)thiazol-2-yl)pyridin-2-amine
CID 704624
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 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) is N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine is c1cc(Nc2nc(-c3ccc(-c4cncc(-c5csc(Nc6ccncc6)n5)c4)cc3)cs2)ccn1.
What is the InChIKey of N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is DYRMOXFCHJJYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7S2/c1-3-19(24-16-35-26(33-24)31-22-5-9-28-10-6-22)4-2-18(1)20-13-21(15-30-14-20)25-17-36-27(34-25)32-23-7-11-29-12-8-23/h1-17H,(H,28,31,33)(H,29,32,34).
What are the key properties of N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine?
N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 505.63 g/mol, XLogP of 7.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-4-[4-[5-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139227756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).