N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)

C89H82F3N19O5S5 — CID 158936616

About N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)

N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide) (PubChem CID 158936616) has the molecular formula C89H82F3N19O5S5 and a molecular weight of 1715.09 g/mol. Its IUPAC name is N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide).

Molecular Properties

• Compound Name: N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)
• PubChem CID: 158936616
• Molecular Formula: C89H82F3N19O5S5
• Molecular Weight: 1715.09 g/mol
• Exact Mass: 1713.53
• IUPAC Name: N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)
• SMILES: CC(=O)Nc1nc2c(s1)-c1nc(-c3cccc(F)c3C)ncc1CC2.CC(=O)Nc1nc2c(s1)-c1nc(-c3ccccc3C(C)(F)F)ncc1CC2.CC(=O)Nc1nc2c(s1)-c1nc(-c3ccccc3C)ncc1CC2.CC(=O)Nc1nc2c(s1)-c1nc(-c3ccccc3C)ncc1CC2.CC(=O)Nc1nc2c(s1)-c1nc(C(C)(C)C)ccc1CC2
• InChI: InChI=1S/C19H16F2N4OS.C18H15FN4OS.2C18H16N4OS.C16H19N3OS/c1-10(26)23-18-24-14-8-7-11-9-22-17(25-15(11)16(14)27-18)12-5-3-4-6-13(12)19(2,20)21;1-9-12(4-3-5-13(9)19)17-20-8-11-6-7-14-16(15(11)23-17)25-18(22-14)21-10(2)24;2*1-10-5-3-4-6-13(10)17-19-9-12-7-8-14-16(15(12)22-17)24-18(21-14)20-11(2)23;1-9(20)17-15-18-11-7-5-10-6-8-12(16(2,3)4)19-13(10)14(11)21-15/h3-6,9H,7-8H2,1-2H3,(H,23,24,26);3-5,8H,6-7H2,1-2H3,(H,21,22,24);2*3-6,9H,7-8H2,1-2H3,(H,20,21,23);6,8H,5,7H2,1-4H3,(H,17,18,20)
• InChIKey: JJSMTJMAVKCLSI-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 325.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1715.09
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)?

The IUPAC name of N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide) (CID 158936616) is N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide).

What is the SMILES notation for N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)?

The canonical SMILES for N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide) is CC(=O)Nc1nc2c(s1)-c1nc(-c3cccc(F)c3C)ncc1CC2.CC(=O)Nc1nc2c(s1)-c1nc(-c3ccccc3C(C)(F)F)ncc1CC2.CC(=O)Nc1nc2c(s1)-c1nc(-c3ccccc3C)ncc1CC2.CC(=O)Nc1nc2c(s1)-c1nc(-c3ccccc3C)ncc1CC2.CC(=O)Nc1nc2c(s1)-c1nc(C(C)(C)C)ccc1CC2.

What is the InChIKey of N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)?

The InChIKey is JJSMTJMAVKCLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4OS.C18H15FN4OS.2C18H16N4OS.C16H19N3OS/c1-10(26)23-18-24-14-8-7-11-9-22-17(25-15(11)16(14)27-18)12-5-3-4-6-13(12)19(2,20)21;1-9-12(4-3-5-13(9)19)17-20-8-11-6-7-14-16(15(11)23-17)25-18(22-14)21-10(2)24;2*1-10-5-3-4-6-13(10)17-19-9-12-7-8-14-16(15(12)22-17)24-18(21-14)20-11(2)23;1-9(20)17-15-18-11-7-5-10-6-8-12(16(2,3)4)19-13(10)14(11)21-15/h3-6,9H,7-8H2,1-2H3,(H,23,24,26);3-5,8H,6-7H2,1-2H3,(H,21,22,24);2*3-6,9H,7-8H2,1-2H3,(H,20,21,23);6,8H,5,7H2,1-4H3,(H,17,18,20).

What are the key properties of N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)?

N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide) has a molecular weight of 1715.09 g/mol, XLogP of 19.03, 10 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide) is sourced from PubChem (CID 158936616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).