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

C24H24N6O3S2 — CID 59443679

IUPAC1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESOCC(O)c1csc(Nc2ncc(SCc3ccccn3)cc2OC2CCCc3ncncc32)n1
InChIInChI=1S/C24H24N6O3S2/c31-11-20(32)19-13-35-24(29-19)30-23-22(33-21-6-3-5-18-17(21)10-25-14-28-18)8-16(9-27-23)34-12-15-4-1-2-7-26-15/h1-2,4,7-10,13-14,20-21,31-32H,3,5-6,11-12H2,(H,27,29,30)
InChIKeyIBWDQKAQZUQNFW-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.24
Rot. Bonds9

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

1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443679) has the molecular formula C24H24N6O3S2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443679
Molecular FormulaC24H24N6O3S2
Molecular Weight508.63 g/mol
Exact Mass508.14
IUPAC Name1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESOCC(O)c1csc(Nc2ncc(SCc3ccccn3)cc2OC2CCCc3ncncc32)n1
InChIInChI=1S/C24H24N6O3S2/c31-11-20(32)19-13-35-24(29-19)30-23-22(33-21-6-3-5-18-17(21)10-25-14-28-18)8-16(9-27-23)34-12-15-4-1-2-7-26-15/h1-2,4,7-10,13-14,20-21,31-32H,3,5-6,11-12H2,(H,27,29,30)
InChIKeyIBWDQKAQZUQNFW-UHFFFAOYSA-N
XLogP4.24
TPSA126.17 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443679) is 1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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-(pyridin-2-ylmethylsulfanyl)-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-(pyridin-2-ylmethylsulfanyl)-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(SCc3ccccn3)cc2OC2CCCc3ncncc32)n1.
What is the InChIKey of 1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is IBWDQKAQZUQNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S2/c31-11-20(32)19-13-35-24(29-19)30-23-22(33-21-6-3-5-18-17(21)10-25-14-28-18)8-16(9-27-23)34-12-15-4-1-2-7-26-15/h1-2,4,7-10,13-14,20-21,31-32H,3,5-6,11-12H2,(H,27,29,30).
What are the key properties of 1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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 508.63 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-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 59443679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).