6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C21H19FN4S2 — CID 169004979

IUPAC6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESFc1ccc2c(c1)NC(SCC1=CSC3=NC(Cc4ccccc4)CN13)=NC2
InChIInChI=1S/C21H19FN4S2/c22-16-7-6-15-10-23-20(25-19(15)9-16)27-12-18-13-28-21-24-17(11-26(18)21)8-14-4-2-1-3-5-14/h1-7,9,13,17H,8,10-12H2,(H,23,25)
InChIKeySCGBROUIJHOAJD-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.71
Rot. Bonds4

About 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 169004979) has the molecular formula C21H19FN4S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID169004979
Molecular FormulaC21H19FN4S2
Molecular Weight410.54 g/mol
Exact Mass410.10
IUPAC Name6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESFc1ccc2c(c1)NC(SCC1=CSC3=NC(Cc4ccccc4)CN13)=NC2
InChIInChI=1S/C21H19FN4S2/c22-16-7-6-15-10-23-20(25-19(15)9-16)27-12-18-13-28-21-24-17(11-26(18)21)8-14-4-2-1-3-5-14/h1-7,9,13,17H,8,10-12H2,(H,23,25)
InChIKeySCGBROUIJHOAJD-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 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 169004979) is 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is Fc1ccc2c(c1)NC(SCC1=CSC3=NC(Cc4ccccc4)CN13)=NC2.
What is the InChIKey of 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is SCGBROUIJHOAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4S2/c22-16-7-6-15-10-23-20(25-19(15)9-16)27-12-18-13-28-21-24-17(11-26(18)21)8-14-4-2-1-3-5-14/h1-7,9,13,17H,8,10-12H2,(H,23,25).
What are the key properties of 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-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 6-benzyl-3-[(7-fluoro-1,4-dihydroquinazolin-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 169004979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).