thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate

C26H24FN5O3S2 — CID 68613044

About thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate

thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate (PubChem CID 68613044) has the molecular formula C26H24FN5O3S2 and a molecular weight of 537.64 g/mol. Its IUPAC name is thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
• PubChem CID: 68613044
• Molecular Formula: C26H24FN5O3S2
• Molecular Weight: 537.64 g/mol
• Exact Mass: 537.13
• IUPAC Name: thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
• SMILES: O=C(NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1)Oc1cc2nccnc2s1
• InChI: InChI=1S/C26H24FN5O3S2/c27-17-8-6-15(7-9-17)22-21(31-23(37-22)16-4-5-16)25(33)32-12-2-1-3-18(32)14-30-26(34)35-20-13-19-24(36-20)29-11-10-28-19/h6-11,13,16,18H,1-5,12,14H2,(H,30,34)/t18-/m0/s1
• InChIKey: JYJKSIZLEKBVJY-SFHVURJKSA-N
• XLogP: 5.61
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.64
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate?

The IUPAC name of thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate (CID 68613044) is thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate.

What is the SMILES notation for thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate?

The canonical SMILES for thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate is O=C(NC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1)Oc1cc2nccnc2s1.

What is the InChIKey of thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate?

The InChIKey is JYJKSIZLEKBVJY-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24FN5O3S2/c27-17-8-6-15(7-9-17)22-21(31-23(37-22)16-4-5-16)25(33)32-12-2-1-3-18(32)14-30-26(34)35-20-13-19-24(36-20)29-11-10-28-19/h6-11,13,16,18H,1-5,12,14H2,(H,30,34)/t18-/m0/s1.

What are the key properties of thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate?

thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate has a molecular weight of 537.64 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for thieno[2,3-b]pyrazin-6-yl N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 68613044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).