2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate

C30H38F3N5O3S — CID 19369571

About 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate

2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate (PubChem CID 19369571) has the molecular formula C30H38F3N5O3S and a molecular weight of 605.73 g/mol. Its IUPAC name is 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate
• PubChem CID: 19369571
• Molecular Formula: C30H38F3N5O3S
• Molecular Weight: 605.73 g/mol
• Exact Mass: 605.26
• IUPAC Name: 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate
• SMILES: CCc1nc(CCc2cc(N3CCOCC3)cc(NCc3cc(NC(=O)OCC(C)C)cc(C(F)(F)F)c3)n2)sc1C
• InChI: InChI=1S/C30H38F3N5O3S/c1-5-26-20(4)42-28(37-26)7-6-23-15-25(38-8-10-40-11-9-38)16-27(35-23)34-17-21-12-22(30(31,32)33)14-24(13-21)36-29(39)41-18-19(2)3/h12-16,19H,5-11,17-18H2,1-4H3,(H,34,35)(H,36,39)
• InChIKey: FMLJFIUKFFVPIR-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 88.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.73
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate?

The IUPAC name of 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate (CID 19369571) is 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate?

The canonical SMILES for 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate is CCc1nc(CCc2cc(N3CCOCC3)cc(NCc3cc(NC(=O)OCC(C)C)cc(C(F)(F)F)c3)n2)sc1C.

What is the InChIKey of 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate?

The InChIKey is FMLJFIUKFFVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F3N5O3S/c1-5-26-20(4)42-28(37-26)7-6-23-15-25(38-8-10-40-11-9-38)16-27(35-23)34-17-21-12-22(30(31,32)33)14-24(13-21)36-29(39)41-18-19(2)3/h12-16,19H,5-11,17-18H2,1-4H3,(H,34,35)(H,36,39).

What are the key properties of 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate?

2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate has a molecular weight of 605.73 g/mol, XLogP of 6.87, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[3-[[[6-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-yl-2-pyridinyl]amino]methyl]-5-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 19369571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).