1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C24H23N5O3S2 — CID 59443638

IUPAC1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESOCC(O)c1csc(Nc2ncc(Sc3ccccc3)cc2OC2CCCc3ncncc32)n1
InChIInChI=1S/C24H23N5O3S2/c30-12-20(31)19-13-33-24(28-19)29-23-22(9-16(10-26-23)34-15-5-2-1-3-6-15)32-21-8-4-7-18-17(21)11-25-14-27-18/h1-3,5-6,9-11,13-14,20-21,30-31H,4,7-8,12H2,(H,26,28,29)
InChIKeyCTHLCLWDJPKKRY-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.70
Rot. Bonds8

About 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443638) has the molecular formula C24H23N5O3S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443638
Molecular FormulaC24H23N5O3S2
Molecular Weight493.61 g/mol
Exact Mass493.12
IUPAC Name1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESOCC(O)c1csc(Nc2ncc(Sc3ccccc3)cc2OC2CCCc3ncncc32)n1
InChIInChI=1S/C24H23N5O3S2/c30-12-20(31)19-13-33-24(28-19)29-23-22(9-16(10-26-23)34-15-5-2-1-3-6-15)32-21-8-4-7-18-17(21)11-25-14-27-18/h1-3,5-6,9-11,13-14,20-21,30-31H,4,7-8,12H2,(H,26,28,29)
InChIKeyCTHLCLWDJPKKRY-UHFFFAOYSA-N
XLogP4.70
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443638) is 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is OCC(O)c1csc(Nc2ncc(Sc3ccccc3)cc2OC2CCCc3ncncc32)n1.
What is the InChIKey of 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is CTHLCLWDJPKKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S2/c30-12-20(31)19-13-33-24(28-19)29-23-22(9-16(10-26-23)34-15-5-2-1-3-6-15)32-21-8-4-7-18-17(21)11-25-14-27-18/h1-3,5-6,9-11,13-14,20-21,30-31H,4,7-8,12H2,(H,26,28,29).
What are the key properties of 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 493.61 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 59443638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).