6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C18H16N8OS — CID 165415250

About 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415250) has the molecular formula C18H16N8OS and a molecular weight of 392.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
• PubChem CID: 165415250
• Molecular Formula: C18H16N8OS
• Molecular Weight: 392.45 g/mol
• Exact Mass: 392.12
• IUPAC Name: 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
• SMILES: O=C(NCc1cn2ccsc2n1)c1nc(C2CC2)cnc1Nc1cncnc1
• InChI: InChI=1S/C18H16N8OS/c27-17(22-7-13-9-26-3-4-28-18(26)24-13)15-16(23-12-5-19-10-20-6-12)21-8-14(25-15)11-1-2-11/h3-6,8-11H,1-2,7H2,(H,21,23)(H,22,27)
• InChIKey: JRICIDKBCIWEGG-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 109.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.45
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415250) is 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCc1cn2ccsc2n1)c1nc(C2CC2)cnc1Nc1cncnc1.

What is the InChIKey of 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The InChIKey is JRICIDKBCIWEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8OS/c27-17(22-7-13-9-26-3-4-28-18(26)24-13)15-16(23-12-5-19-10-20-6-12)21-8-14(25-15)11-1-2-11/h3-6,8-11H,1-2,7H2,(H,21,23)(H,22,27).

What are the key properties of 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).