5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C20H19ClF3N5OS2 — CID 129016228

About 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 129016228) has the molecular formula C20H19ClF3N5OS2 and a molecular weight of 501.99 g/mol. Its IUPAC name is 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
• PubChem CID: 129016228
• Molecular Formula: C20H19ClF3N5OS2
• Molecular Weight: 501.99 g/mol
• Exact Mass: 501.07
• IUPAC Name: 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
• SMILES: C[C@@H]1CC[C@@H](C)N1Cc1sc(NC(=O)c2cnc(Cl)cn2)nc1-c1cc(C(F)(F)F)cs1
• InChI: InChI=1S/C20H19ClF3N5OS2/c1-10-3-4-11(2)29(10)8-15-17(14-5-12(9-31-14)20(22,23)24)27-19(32-15)28-18(30)13-6-26-16(21)7-25-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,27,28,30)/t10-,11-/m1/s1
• InChIKey: YQSRJDJVIHOLIB-GHMZBOCLSA-N
• XLogP: 5.96
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.99
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 129016228) is 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is C[C@@H]1CC[C@@H](C)N1Cc1sc(NC(=O)c2cnc(Cl)cn2)nc1-c1cc(C(F)(F)F)cs1.

What is the InChIKey of 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?

The InChIKey is YQSRJDJVIHOLIB-GHMZBOCLSA-N. The full InChI is InChI=1S/C20H19ClF3N5OS2/c1-10-3-4-11(2)29(10)8-15-17(14-5-12(9-31-14)20(22,23)24)27-19(32-15)28-18(30)13-6-26-16(21)7-25-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,27,28,30)/t10-,11-/m1/s1.

What are the key properties of 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?

5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 501.99 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 129016228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).