N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride

C27H28Cl2N6OS3 — CID 87418790

IUPACN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride
SMILESCCc1ncccc1Oc1cc(Sc2ccnc3ccsc23)cnc1Nc1nc(C2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C27H26N6OS3.2ClH/c1-2-19-22(4-3-9-29-19)34-23-14-18(37-24-7-12-30-20-8-13-35-25(20)24)15-31-26(23)33-27-32-21(16-36-27)17-5-10-28-11-6-17;;/h3-4,7-9,12-17,28H,2,5-6,10-11H2,1H3,(H,31,32,33);2*1H
InChIKeyDENQAEMOGPCISI-UHFFFAOYSA-N
MW619.67 g/mol
LogP8.10
Rot. Bonds8

About N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride

N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 87418790) has the molecular formula C27H28Cl2N6OS3 and a molecular weight of 619.67 g/mol. Its IUPAC name is N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID87418790
Molecular FormulaC27H28Cl2N6OS3
Molecular Weight619.67 g/mol
Exact Mass618.09
IUPAC NameN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride
SMILESCCc1ncccc1Oc1cc(Sc2ccnc3ccsc23)cnc1Nc1nc(C2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C27H26N6OS3.2ClH/c1-2-19-22(4-3-9-29-19)34-23-14-18(37-24-7-12-30-20-8-13-35-25(20)24)15-31-26(23)33-27-32-21(16-36-27)17-5-10-28-11-6-17;;/h3-4,7-9,12-17,28H,2,5-6,10-11H2,1H3,(H,31,32,33);2*1H
InChIKeyDENQAEMOGPCISI-UHFFFAOYSA-N
XLogP8.10
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.67
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

1-(4-(5-(3-(2-Methylpyridin-3-yloxy)-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
CID 59291641
3-(benzyloxy)-N-(4-methylthiazol-2-yl)-5-(pyridin-2-ylmethylthio)pyridin-2-amine
CID 16660507
4-methyl-N-(3-phenylmethoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660671
4-methyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765183
4-methyl-N-(3-phenoxy-5-phenylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765540
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
4-cyclopropyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742580
4-ethyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742610
4-cyclohexyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742658
4-methyl-N-(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57742772
N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
CID 57742806
N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 57742807

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride (CID 87418790) is N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride is CCc1ncccc1Oc1cc(Sc2ccnc3ccsc23)cnc1Nc1nc(C2CCNCC2)cs1.Cl.Cl.
What is the InChIKey of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is DENQAEMOGPCISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6OS3.2ClH/c1-2-19-22(4-3-9-29-19)34-23-14-18(37-24-7-12-30-20-8-13-35-25(20)24)15-31-26(23)33-27-32-21(16-36-27)17-5-10-28-11-6-17;;/h3-4,7-9,12-17,28H,2,5-6,10-11H2,1H3,(H,31,32,33);2*1H.
What are the key properties of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride?
N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 619.67 g/mol, XLogP of 8.10, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl]-4-piperidin-4-yl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 87418790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).