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

C20H23N5O4S2 — CID 59443614

IUPAC1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESOCCSc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1
InChIInChI=1S/C20H23N5O4S2/c26-4-5-30-12-6-18(29-17-3-1-2-14-13(17)8-21-11-23-14)19(22-7-12)25-20-24-15(10-31-20)16(28)9-27/h6-8,10-11,16-17,26-28H,1-5,9H2,(H,22,24,25)
InChIKeyBFQFASUZOZRDRS-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.64
Rot. Bonds9

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

1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443614) has the molecular formula C20H23N5O4S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-[2-[[5-(2-hydroxyethylsulfanyl)-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-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443614
Molecular FormulaC20H23N5O4S2
Molecular Weight461.57 g/mol
Exact Mass461.12
IUPAC Name1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESOCCSc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1
InChIInChI=1S/C20H23N5O4S2/c26-4-5-30-12-6-18(29-17-3-1-2-14-13(17)8-21-11-23-14)19(22-7-12)25-20-24-15(10-31-20)16(28)9-27/h6-8,10-11,16-17,26-28H,1-5,9H2,(H,22,24,25)
InChIKeyBFQFASUZOZRDRS-UHFFFAOYSA-N
XLogP2.64
TPSA133.51 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[[5-(2-hydroxyethylsulfanyl)-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-(2-hydroxyethylsulfanyl)-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-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443614) is 1-[2-[[5-(2-hydroxyethylsulfanyl)-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-(2-hydroxyethylsulfanyl)-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-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1.
What is the InChIKey of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is BFQFASUZOZRDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S2/c26-4-5-30-12-6-18(29-17-3-1-2-14-13(17)8-21-11-23-14)19(22-7-12)25-20-24-15(10-31-20)16(28)9-27/h6-8,10-11,16-17,26-28H,1-5,9H2,(H,22,24,25).
What are the key properties of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-(2-hydroxyethylsulfanyl)-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 461.57 g/mol, XLogP of 2.64, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-hydroxyethylsulfanyl)-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 59443614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).