(5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C23H27F3N4O2S — CID 98422133

About (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 98422133) has the molecular formula C23H27F3N4O2S and a molecular weight of 480.56 g/mol. Its IUPAC name is (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 98422133
• Molecular Formula: C23H27F3N4O2S
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.18
• IUPAC Name: (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)N(C)C)[C@@H](c3ccc(C(F)(F)F)cc3)N12
• InChI: InChI=1S/C23H27F3N4O2S/c1-6-13(2)27-18(31)11-17-12-33-22-28-14(3)19(21(32)29(4)5)20(30(17)22)15-7-9-16(10-8-15)23(24,25)26/h7-10,12-13,20H,6,11H2,1-5H3,(H,27,31)/t13-,20-/m1/s1
• InChIKey: KDPZPRIINKXTCL-ZUOKHONESA-N
• XLogP: 4.67
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 98422133) is (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC[C@@H](C)NC(=O)CC1=CSC2=NC(C)=C(C(=O)N(C)C)[C@@H](c3ccc(C(F)(F)F)cc3)N12.

What is the InChIKey of (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is KDPZPRIINKXTCL-ZUOKHONESA-N. The full InChI is InChI=1S/C23H27F3N4O2S/c1-6-13(2)27-18(31)11-17-12-33-22-28-14(3)19(21(32)29(4)5)20(30(17)22)15-7-9-16(10-8-15)23(24,25)26/h7-10,12-13,20H,6,11H2,1-5H3,(H,27,31)/t13-,20-/m1/s1.

What are the key properties of (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N,N,7-trimethyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 98422133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).