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

C19H17ClF3N5OS2 — CID 126741265

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

5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 126741265) has the molecular formula C19H17ClF3N5OS2 and a molecular weight of 487.96 g/mol. Its IUPAC name is 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-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)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
• PubChem CID: 126741265
• Molecular Formula: C19H17ClF3N5OS2
• Molecular Weight: 487.96 g/mol
• Exact Mass: 487.05
• IUPAC Name: 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
• SMILES: C[C@@H]1CCCN1Cc1sc(NC(=O)c2cnc(Cl)cn2)nc1-c1cc(C(F)(F)F)cs1
• InChI: InChI=1S/C19H17ClF3N5OS2/c1-10-3-2-4-28(10)8-14-16(13-5-11(9-30-13)19(21,22)23)26-18(31-14)27-17(29)12-6-25-15(20)7-24-12/h5-7,9-10H,2-4,8H2,1H3,(H,26,27,29)/t10-/m1/s1
• InChIKey: VCUDNDLNJFXTFH-SNVBAGLBSA-N
• XLogP: 5.57
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.96
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-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)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 126741265) is 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-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)-2-methylpyrrolidin-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)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is C[C@@H]1CCCN1Cc1sc(NC(=O)c2cnc(Cl)cn2)nc1-c1cc(C(F)(F)F)cs1.

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

The InChIKey is VCUDNDLNJFXTFH-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H17ClF3N5OS2/c1-10-3-2-4-28(10)8-14-16(13-5-11(9-30-13)19(21,22)23)26-18(31-14)27-17(29)12-6-25-15(20)7-24-12/h5-7,9-10H,2-4,8H2,1H3,(H,26,27,29)/t10-/m1/s1.

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

5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 487.96 g/mol, XLogP of 5.57, 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)-2-methylpyrrolidin-1-yl]methyl]-4-[4-(trifluoromethyl)thiophen-2-yl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 126741265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).