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

C30H25ClN8OS2 — CID 167030631

IUPACN-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCOc1ccnc(-c2csc(Nc3cc(C)cc(-c4cnc(Nc5nc(-c6cc(Cl)ccn6)cs5)cc4C)n3)n2)c1
InChIInChI=1S/C30H25ClN8OS2/c1-4-40-20-6-8-33-24(13-20)26-16-42-30(37-26)39-28-10-17(2)9-22(35-28)21-14-34-27(11-18(21)3)38-29-36-25(15-41-29)23-12-19(31)5-7-32-23/h5-16H,4H2,1-3H3,(H,34,36,38)(H,35,37,39)
InChIKeyIONZYNJEGOZITF-UHFFFAOYSA-N
MW613.17 g/mol
LogP8.34
Rot. Bonds9

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

N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 167030631) has the molecular formula C30H25ClN8OS2 and a molecular weight of 613.17 g/mol. Its IUPAC name is N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID167030631
Molecular FormulaC30H25ClN8OS2
Molecular Weight613.17 g/mol
Exact Mass612.13
IUPAC NameN-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCOc1ccnc(-c2csc(Nc3cc(C)cc(-c4cnc(Nc5nc(-c6cc(Cl)ccn6)cs5)cc4C)n3)n2)c1
InChIInChI=1S/C30H25ClN8OS2/c1-4-40-20-6-8-33-24(13-20)26-16-42-30(37-26)39-28-10-17(2)9-22(35-28)21-14-34-27(11-18(21)3)38-29-36-25(15-41-29)23-12-19(31)5-7-32-23/h5-16H,4H2,1-3H3,(H,34,36,38)(H,35,37,39)
InChIKeyIONZYNJEGOZITF-UHFFFAOYSA-N
XLogP8.34
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500613.17
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 167030631) is N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine is CCOc1ccnc(-c2csc(Nc3cc(C)cc(-c4cnc(Nc5nc(-c6cc(Cl)ccn6)cs5)cc4C)n3)n2)c1.
What is the InChIKey of N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is IONZYNJEGOZITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN8OS2/c1-4-40-20-6-8-33-24(13-20)26-16-42-30(37-26)39-28-10-17(2)9-22(35-28)21-14-34-27(11-18(21)3)38-29-36-25(15-41-29)23-12-19(31)5-7-32-23/h5-16H,4H2,1-3H3,(H,34,36,38)(H,35,37,39).
What are the key properties of N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 613.17 g/mol, XLogP of 8.34, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-[[4-(4-chloro-2-pyridinyl)-1,3-thiazol-2-yl]amino]-4-methyl-3-pyridinyl]-4-methyl-2-pyridinyl]-4-(4-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167030631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).