4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole

C21H15N5S — CID 90255935

IUPAC4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole
SMILESc1ccc(C2N=C(c3cnc4cncnc4n3)SC2c2ccccc2)cc1
InChIInChI=1S/C21H15N5S/c1-3-7-14(8-4-1)18-19(15-9-5-2-6-10-15)27-21(26-18)17-12-23-16-11-22-13-24-20(16)25-17/h1-13,18-19H
InChIKeyMATSUNLHNZORPS-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.40
Rot. Bonds3

About 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole

4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole (PubChem CID 90255935) has the molecular formula C21H15N5S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole
PubChem CID90255935
Molecular FormulaC21H15N5S
Molecular Weight369.45 g/mol
Exact Mass369.10
IUPAC Name4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole
SMILESc1ccc(C2N=C(c3cnc4cncnc4n3)SC2c2ccccc2)cc1
InChIInChI=1S/C21H15N5S/c1-3-7-14(8-4-1)18-19(15-9-5-2-6-10-15)27-21(26-18)17-12-23-16-11-22-13-24-20(16)25-17/h1-13,18-19H
InChIKeyMATSUNLHNZORPS-UHFFFAOYSA-N
XLogP4.40
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole (CID 90255935) is 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole is c1ccc(C2N=C(c3cnc4cncnc4n3)SC2c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is MATSUNLHNZORPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5S/c1-3-7-14(8-4-1)18-19(15-9-5-2-6-10-15)27-21(26-18)17-12-23-16-11-22-13-24-20(16)25-17/h1-13,18-19H.
What are the key properties of 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole?
4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 369.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-pteridin-7-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 90255935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).