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

C19H21N5O3S — CID 88878191

IUPAC1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1
InChIInChI=1S/C19H21N5O3S/c1-11-5-17(27-16-4-2-3-13-12(16)7-20-10-22-13)18(21-6-11)24-19-23-14(9-28-19)15(26)8-25/h5-7,9-10,15-16,25-26H,2-4,8H2,1H3,(H,21,23,24)
InChIKeyFXCBLQXZUXJDGT-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.86
Rot. Bonds6

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

1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 88878191) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 1-[2-[[5-methyl-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-methyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID88878191
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1
InChIInChI=1S/C19H21N5O3S/c1-11-5-17(27-16-4-2-3-13-12(16)7-20-10-22-13)18(21-6-11)24-19-23-14(9-28-19)15(26)8-25/h5-7,9-10,15-16,25-26H,2-4,8H2,1H3,(H,21,23,24)
InChIKeyFXCBLQXZUXJDGT-UHFFFAOYSA-N
XLogP2.86
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[2-[[5-methyl-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-methyl-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-methyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 88878191) is 1-[2-[[5-methyl-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-methyl-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-methyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1.
What is the InChIKey of 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is FXCBLQXZUXJDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-11-5-17(27-16-4-2-3-13-12(16)7-20-10-22-13)18(21-6-11)24-19-23-14(9-28-19)15(26)8-25/h5-7,9-10,15-16,25-26H,2-4,8H2,1H3,(H,21,23,24).
What are the key properties of 1-[2-[[5-methyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-methyl-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 399.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-methyl-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 88878191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).