(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone

C97H96ClF6N15O8S5 — CID 157194256

About (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone

(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone (PubChem CID 157194256) has the molecular formula C97H96ClF6N15O8S5 and a molecular weight of 1909.71 g/mol. Its IUPAC name is (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone.

Molecular Properties

• Compound Name: (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
• PubChem CID: 157194256
• Molecular Formula: C97H96ClF6N15O8S5
• Molecular Weight: 1909.71 g/mol
• Exact Mass: 1907.58
• IUPAC Name: (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
• SMILES: CC(=O)c1ccc(F)cc1.CC(=O)c1ccc(Sc2ccc(F)cc2)cc1.CC(N)c1ccc(Sc2ccc(F)cc2)cc1.CC[C@H]1COC(=O)N1c1nc(C)nc(Cl)n1.CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2ccc(Sc3ccc(F)cc3)cc2)n1.CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(Sc3ccc(F)cc3)cc2)n1.Fc1ccc(S)cc1
• InChI: InChI=1S/2C23H24FN5O2S.C14H14FNS.C14H11FOS.C9H11ClN4O2.C8H7FO.C6H5FS/c2*1-4-18-13-31-23(30)29(18)22-27-15(3)26-21(28-22)25-14(2)16-5-9-19(10-6-16)32-20-11-7-17(24)8-12-20;2*1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14;1-3-6-4-16-9(15)14(6)8-12-5(2)11-7(10)13-8;1-6(10)7-2-4-8(9)5-3-7;7-5-1-3-6(8)4-2-5/h2*5-12,14,18H,4,13H2,1-3H3,(H,25,26,27,28);2-10H,16H2,1H3;2-9H,1H3;6H,3-4H2,1-2H3;2-5H,1H3;1-4,8H/t14-,18+;14-,18-;;;6-;;/m10..0../s1
• InChIKey: AQBCANKLPZVTIK-PUBCTMPUSA-N
• XLogP: 24.64
• TPSA: 288.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1909.71
LogP ≤ 5	24.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone?

The IUPAC name of (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone (CID 157194256) is (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone.

What is the SMILES notation for (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone?

The canonical SMILES for (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone is CC(=O)c1ccc(F)cc1.CC(=O)c1ccc(Sc2ccc(F)cc2)cc1.CC(N)c1ccc(Sc2ccc(F)cc2)cc1.CC[C@H]1COC(=O)N1c1nc(C)nc(Cl)n1.CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@@H](C)c2ccc(Sc3ccc(F)cc3)cc2)n1.CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(Sc3ccc(F)cc3)cc2)n1.Fc1ccc(S)cc1.

What is the InChIKey of (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone?

The InChIKey is AQBCANKLPZVTIK-PUBCTMPUSA-N. The full InChI is InChI=1S/2C23H24FN5O2S.C14H14FNS.C14H11FOS.C9H11ClN4O2.C8H7FO.C6H5FS/c2*1-4-18-13-31-23(30)29(18)22-27-15(3)26-21(28-22)25-14(2)16-5-9-19(10-6-16)32-20-11-7-17(24)8-12-20;2*1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14;1-3-6-4-16-9(15)14(6)8-12-5(2)11-7(10)13-8;1-6(10)7-2-4-8(9)5-3-7;7-5-1-3-6(8)4-2-5/h2*5-12,14,18H,4,13H2,1-3H3,(H,25,26,27,28);2-10H,16H2,1H3;2-9H,1H3;6H,3-4H2,1-2H3;2-5H,1H3;1-4,8H/t14-,18+;14-,18-;;;6-;;/m10..0../s1.

What are the key properties of (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone?

(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone has a molecular weight of 1909.71 g/mol, XLogP of 24.64, 23 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-ethyl-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1R)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-[4-[[(1S)-1-[4-(4-fluorophenyl)sulfanylphenyl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one;4-fluorobenzenethiol;1-(4-fluorophenyl)ethanone;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanamine;1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 157194256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).