(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone

C80H92N16O4S5 — CID 159506528

About (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone

(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone (PubChem CID 159506528) has the molecular formula C80H92N16O4S5 and a molecular weight of 1502.06 g/mol. Its IUPAC name is (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone.

Molecular Properties

• Compound Name: (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone
• PubChem CID: 159506528
• Molecular Formula: C80H92N16O4S5
• Molecular Weight: 1502.06 g/mol
• Exact Mass: 1500.61
• IUPAC Name: (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone
• SMILES: C=CC(=C)N1CCN(C(=O)c2cc(C(C)c3cnc(Nc4ccccn4)s3)c(C)cc2OC)CC1.C=CC(=C)N1CCN(C(=O)c2cc(Sc3cnc(Nc4ncc(C)cc4C)s3)c(C)cc2C)CC1.C=CC(=C)N1CCN(C(=O)c2cc(Sc3cnc(Nc4ncc(C)nc4C)s3)c(C)cc2C)CC1
• InChI: InChI=1S/C27H31N5O2S.C27H31N5OS2.C26H30N6OS2/c1-6-19(3)31-11-13-32(14-12-31)26(33)22-16-21(18(2)15-23(22)34-5)20(4)24-17-29-27(35-24)30-25-9-7-8-10-28-25;1-7-21(6)31-8-10-32(11-9-31)26(33)22-14-23(19(4)13-18(22)3)34-24-16-29-27(35-24)30-25-20(5)12-17(2)15-28-25;1-7-19(5)31-8-10-32(11-9-31)25(33)21-13-22(17(3)12-16(21)2)34-23-15-28-26(35-23)30-24-20(6)29-18(4)14-27-24/h6-10,15-17,20H,1,3,11-14H2,2,4-5H3,(H,28,29,30);7,12-16H,1,6,8-11H2,2-5H3,(H,28,29,30);7,12-15H,1,5,8-11H2,2-4,6H3,(H,27,28,30)
• InChIKey: MABFFNCRYUKDPX-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 206.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1502.06
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone?

The IUPAC name of (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone (CID 159506528) is (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone.

What is the SMILES notation for (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone?

The canonical SMILES for (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone is C=CC(=C)N1CCN(C(=O)c2cc(C(C)c3cnc(Nc4ccccn4)s3)c(C)cc2OC)CC1.C=CC(=C)N1CCN(C(=O)c2cc(Sc3cnc(Nc4ncc(C)cc4C)s3)c(C)cc2C)CC1.C=CC(=C)N1CCN(C(=O)c2cc(Sc3cnc(Nc4ncc(C)nc4C)s3)c(C)cc2C)CC1.

What is the InChIKey of (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone?

The InChIKey is MABFFNCRYUKDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2S.C27H31N5OS2.C26H30N6OS2/c1-6-19(3)31-11-13-32(14-12-31)26(33)22-16-21(18(2)15-23(22)34-5)20(4)24-17-29-27(35-24)30-25-9-7-8-10-28-25;1-7-21(6)31-8-10-32(11-9-31)26(33)22-14-23(19(4)13-18(22)3)34-24-16-29-27(35-24)30-25-20(5)12-17(2)15-28-25;1-7-19(5)31-8-10-32(11-9-31)25(33)21-13-22(17(3)12-16(21)2)34-23-15-28-26(35-23)30-24-20(6)29-18(4)14-27-24/h6-10,15-17,20H,1,3,11-14H2,2,4-5H3,(H,28,29,30);7,12-16H,1,6,8-11H2,2-5H3,(H,28,29,30);7,12-15H,1,5,8-11H2,2-4,6H3,(H,27,28,30).

What are the key properties of (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone?

(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone has a molecular weight of 1502.06 g/mol, XLogP of 16.85, 22 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethylpyrazin-2-yl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[5-[[2-[(3,5-dimethyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]-2,4-dimethylphenyl]methanone;(4-buta-1,3-dien-2-ylpiperazin-1-yl)-[2-methoxy-4-methyl-5-[1-[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethyl]phenyl]methanone is sourced from PubChem (CID 159506528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).