bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine

C49H49N13O3S3 — CID 159517730

IUPACbis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCOc1cccnc1Nc1nc(-c2ccccn2)cs1.CCOc1cccnc1Nc1nc(-c2ccccn2)cs1.Cc1cccnc1Nc1nc(-c2ccccn2)c(CN2CCOCC2)s1
InChIInChI=1S/C19H21N5OS.2C15H14N4OS/c1-14-5-4-8-21-18(14)23-19-22-17(15-6-2-3-7-20-15)16(26-19)13-24-9-11-25-12-10-24;2*1-2-20-13-7-5-9-17-14(13)19-15-18-12(10-21-15)11-6-3-4-8-16-11/h2-8H,9-13H2,1H3,(H,21,22,23);2*3-10H,2H2,1H3,(H,17,18,19)
InChIKeyMBKKTRWSPGTYDF-UHFFFAOYSA-N
MW964.22 g/mol
LogP10.97
Rot. Bonds15

About bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine

bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 159517730) has the molecular formula C49H49N13O3S3 and a molecular weight of 964.22 g/mol. Its IUPAC name is bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Namebis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID159517730
Molecular FormulaC49H49N13O3S3
Molecular Weight964.22 g/mol
Exact Mass963.32
IUPAC Namebis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCCOc1cccnc1Nc1nc(-c2ccccn2)cs1.CCOc1cccnc1Nc1nc(-c2ccccn2)cs1.Cc1cccnc1Nc1nc(-c2ccccn2)c(CN2CCOCC2)s1
InChIInChI=1S/C19H21N5OS.2C15H14N4OS/c1-14-5-4-8-21-18(14)23-19-22-17(15-6-2-3-7-20-15)16(26-19)13-24-9-11-25-12-10-24;2*1-2-20-13-7-5-9-17-14(13)19-15-18-12(10-21-15)11-6-3-4-8-16-11/h2-8H,9-13H2,1H3,(H,21,22,23);2*3-10H,2H2,1H3,(H,17,18,19)
InChIKeyMBKKTRWSPGTYDF-UHFFFAOYSA-N
XLogP10.97
TPSA183.03 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.22
LogP ≤ 510.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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
N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
CID 57742806
N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225642
N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine
CID 56662650
2-(2-fluoroethoxy)-N-[3-[[11-[[5-[2-(2-fluoroethoxy)ethoxy]-3-pyridinyl]amino]-3-[[11-[[4-(2-fluoroethoxy)-2-pyridinyl]amino]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-1,3-thiazol-4-amine
CID 123790670
4-[(2R)-4,4-difluoro-1-phenylpyrrolidin-2-yl]-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]-1,3-thiazol-2-amine
CID 167450282
4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 170674866
N-(5-ethoxy-2-pyridyl)-4-(2-pyridyl)thiazol-2-amine
CID 86282771
3-ethoxy-N-(6-methylpyridin-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-amine
CID 11462241
4-methyl-N-(3-phenylmethoxy-5-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 16660502
4-methyl-N-[3-phenylmethoxy-5-(pyridin-4-ylmethylsulfanyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660508

Frequently Asked Questions

What is the IUPAC name of bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 159517730) is bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is CCOc1cccnc1Nc1nc(-c2ccccn2)cs1.CCOc1cccnc1Nc1nc(-c2ccccn2)cs1.Cc1cccnc1Nc1nc(-c2ccccn2)c(CN2CCOCC2)s1.
What is the InChIKey of bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is MBKKTRWSPGTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.2C15H14N4OS/c1-14-5-4-8-21-18(14)23-19-22-17(15-6-2-3-7-20-15)16(26-19)13-24-9-11-25-12-10-24;2*1-2-20-13-7-5-9-17-14(13)19-15-18-12(10-21-15)11-6-3-4-8-16-11/h2-8H,9-13H2,1H3,(H,21,22,23);2*3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 964.22 g/mol, XLogP of 10.97, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(3-ethoxy-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine);N-(3-methyl-2-pyridinyl)-5-(morpholin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 159517730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).