3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C21H19FN4S2 — CID 169004957

IUPAC3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESFc1cccc(CC2CN3C(CSC4=NCc5ccccc5N4)=CSC3=N2)c1
InChIInChI=1S/C21H19FN4S2/c22-16-6-3-4-14(8-16)9-17-11-26-18(13-28-21(26)24-17)12-27-20-23-10-15-5-1-2-7-19(15)25-20/h1-8,13,17H,9-12H2,(H,23,25)
InChIKeyPZANGZFLSSLNTB-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.71
Rot. Bonds4

About 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 169004957) has the molecular formula C21H19FN4S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID169004957
Molecular FormulaC21H19FN4S2
Molecular Weight410.54 g/mol
Exact Mass410.10
IUPAC Name3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESFc1cccc(CC2CN3C(CSC4=NCc5ccccc5N4)=CSC3=N2)c1
InChIInChI=1S/C21H19FN4S2/c22-16-6-3-4-14(8-16)9-17-11-26-18(13-28-21(26)24-17)12-27-20-23-10-15-5-1-2-7-19(15)25-20/h1-8,13,17H,9-12H2,(H,23,25)
InChIKeyPZANGZFLSSLNTB-UHFFFAOYSA-N
XLogP4.71
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 169004957) is 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is Fc1cccc(CC2CN3C(CSC4=NCc5ccccc5N4)=CSC3=N2)c1.
What is the InChIKey of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is PZANGZFLSSLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4S2/c22-16-6-3-4-14(8-16)9-17-11-26-18(13-28-21(26)24-17)12-27-20-23-10-15-5-1-2-7-19(15)25-20/h1-8,13,17H,9-12H2,(H,23,25).
What are the key properties of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 410.54 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-6-[(3-fluorophenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 169004957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).