5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C16H22N6OS — CID 161207759

About 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 161207759) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 161207759
• Molecular Formula: C16H22N6OS
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.16
• IUPAC Name: 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
• SMILES: Cc1cc(Nc2nc(N(C)C3CCCCC3)cnc2C(N)=O)sn1
• InChI: InChI=1S/C16H22N6OS/c1-10-8-13(24-21-10)20-16-14(15(17)23)18-9-12(19-16)22(2)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H2,17,23)(H,19,20)
• InChIKey: YGXLDKHWJZGVSI-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 97.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 161207759) is 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N(C)C3CCCCC3)cnc2C(N)=O)sn1.

What is the InChIKey of 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The InChIKey is YGXLDKHWJZGVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-10-8-13(24-21-10)20-16-14(15(17)23)18-9-12(19-16)22(2)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H2,17,23)(H,19,20).

What are the key properties of 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 161207759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).