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

C24H24N6O3S2 — CID 59443714

IUPAC1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1
InChIInChI=1S/C24H24N6O3S2/c1-14-22(6-3-7-26-14)35-15-8-21(33-20-5-2-4-17-16(20)10-25-13-28-17)23(27-9-15)30-24-29-18(12-34-24)19(32)11-31/h3,6-10,12-13,19-20,31-32H,2,4-5,11H2,1H3,(H,27,29,30)
InChIKeyHRFHSCINFUWUJE-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.41
Rot. Bonds8

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

1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 59443714) has the molecular formula C24H24N6O3S2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-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-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
PubChem CID59443714
Molecular FormulaC24H24N6O3S2
Molecular Weight508.63 g/mol
Exact Mass508.14
IUPAC Name1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
SMILESCc1ncccc1Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1
InChIInChI=1S/C24H24N6O3S2/c1-14-22(6-3-7-26-14)35-15-8-21(33-20-5-2-4-17-16(20)10-25-13-28-17)23(27-9-15)30-24-29-18(12-34-24)19(32)11-31/h3,6-10,12-13,19-20,31-32H,2,4-5,11H2,1H3,(H,27,29,30)
InChIKeyHRFHSCINFUWUJE-UHFFFAOYSA-N
XLogP4.41
TPSA126.17 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-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-methyl-3-pyridinyl)sulfanyl]-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-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 59443714) is 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-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-methyl-3-pyridinyl)sulfanyl]-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-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is Cc1ncccc1Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1.
What is the InChIKey of 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
The InChIKey is HRFHSCINFUWUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S2/c1-14-22(6-3-7-26-14)35-15-8-21(33-20-5-2-4-17-16(20)10-25-13-28-17)23(27-9-15)30-24-29-18(12-34-24)19(32)11-31/h3,6-10,12-13,19-20,31-32H,2,4-5,11H2,1H3,(H,27,29,30).
What are the key properties of 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?
1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-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 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-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 59443714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).