1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine

C37H18Cl5F6N9S2 — CID 90903649

About 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine

1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine (PubChem CID 90903649) has the molecular formula C37H18Cl5F6N9S2 and a molecular weight of 944.00 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine.

Molecular Properties

• Compound Name: 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine
• PubChem CID: 90903649
• Molecular Formula: C37H18Cl5F6N9S2
• Molecular Weight: 944.00 g/mol
• Exact Mass: 940.95
• IUPAC Name: 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine
• SMILES: FC(F)(F)c1ccc(N(c2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)N(c2ccc(C(F)(F)F)c(Cl)c2)c2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cn1
• InChI: InChI=1S/C37H18Cl5F6N9S2/c38-22-3-1-4-23(39)19(22)12-28-54-30-32(50-15-52-34(30)58-28)56(17-7-9-21(26(42)11-17)36(43,44)45)57(18-8-10-27(49-14-18)37(46,47)48)33-31-35(53-16-51-33)59-29(55-31)13-20-24(40)5-2-6-25(20)41/h1-11,14-16H,12-13H2
• InChIKey: ZRTSVJWCDUDINS-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 96.71 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.00
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine?

The IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine (CID 90903649) is 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine.

What is the SMILES notation for 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine?

The canonical SMILES for 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine is FC(F)(F)c1ccc(N(c2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)N(c2ccc(C(F)(F)F)c(Cl)c2)c2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cn1.

What is the InChIKey of 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine?

The InChIKey is ZRTSVJWCDUDINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H18Cl5F6N9S2/c38-22-3-1-4-23(39)19(22)12-28-54-30-32(50-15-52-34(30)58-28)56(17-7-9-21(26(42)11-17)36(43,44)45)57(18-8-10-27(49-14-18)37(46,47)48)33-31-35(53-16-51-33)59-29(55-31)13-20-24(40)5-2-6-25(20)41/h1-11,14-16H,12-13H2.

What are the key properties of 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine?

1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine has a molecular weight of 944.00 g/mol, XLogP of 13.26, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-(trifluoromethyl)phenyl]-1,2-bis[2-[(2,6-dichlorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]hydrazine is sourced from PubChem (CID 90903649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).