1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C23H23N5O4S2 — CID 59443627

IUPAC1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Oc1cc(SC(CO)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C23H23N5O4S2/c1-14-19(6-4-8-24-14)32-20-9-15(34-21(12-30)16-5-2-3-7-25-16)10-26-22(20)28-23-27-17(13-33-23)18(31)11-29/h2-10,13,18,21,29-31H,11-12H2,1H3,(H,26,27,28)
InChIKeyIKIJWNGDLYYOPW-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.02
Rot. Bonds10

About 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443627) has the molecular formula C23H23N5O4S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443627
Molecular FormulaC23H23N5O4S2
Molecular Weight497.60 g/mol
Exact Mass497.12
IUPAC Name1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Oc1cc(SC(CO)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1
InChIInChI=1S/C23H23N5O4S2/c1-14-19(6-4-8-24-14)32-20-9-15(34-21(12-30)16-5-2-3-7-25-16)10-26-22(20)28-23-27-17(13-33-23)18(31)11-29/h2-10,13,18,21,29-31H,11-12H2,1H3,(H,26,27,28)
InChIKeyIKIJWNGDLYYOPW-UHFFFAOYSA-N
XLogP4.02
TPSA133.51 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174
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-methyl-N-(3-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24765842
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443627) is 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1ncccc1Oc1cc(SC(CO)c2ccccn2)cnc1Nc1nc(C(O)CO)cs1.
What is the InChIKey of 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is IKIJWNGDLYYOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S2/c1-14-19(6-4-8-24-14)32-20-9-15(34-21(12-30)16-5-2-3-7-25-16)10-26-22(20)28-23-27-17(13-33-23)18(31)11-29/h2-10,13,18,21,29-31H,11-12H2,1H3,(H,26,27,28).
What are the key properties of 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 497.60 g/mol, XLogP of 4.02, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-hydroxy-1-pyridin-2-ylethyl)sulfanyl-3-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 59443627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).