N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C43H52N14O2S2 — CID 158296806

About N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 158296806) has the molecular formula C43H52N14O2S2 and a molecular weight of 861.12 g/mol. Its IUPAC name is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
• PubChem CID: 158296806
• Molecular Formula: C43H52N14O2S2
• Molecular Weight: 861.12 g/mol
• Exact Mass: 860.38
• IUPAC Name: N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
• SMILES: CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1.COc1nc(-c2csc(Nc3cc(C(C)(C)C)nn3C)n2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C22H27N7OS.C21H25N7OS/c1-7-29-19(10-18(27-29)22(3,4)5)26-21-25-16(12-31-21)15-8-9-17(20(24-15)30-6)28-11-14(2)23-13-28;1-13-10-28(12-22-13)16-8-7-14(23-19(16)29-6)15-11-30-20(24-15)25-18-9-17(21(2,3)4)26-27(18)5/h8-13H,7H2,1-6H3,(H,25,26);7-12H,1-6H3,(H,24,25)
• InChIKey: GLZZPCXDVVWZNN-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 165.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.12
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?

The IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 158296806) is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1.COc1nc(-c2csc(Nc3cc(C(C)(C)C)nn3C)n2)ccc1-n1cnc(C)c1.

What is the InChIKey of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?

The InChIKey is GLZZPCXDVVWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS.C21H25N7OS/c1-7-29-19(10-18(27-29)22(3,4)5)26-21-25-16(12-31-21)15-8-9-17(20(24-15)30-6)28-11-14(2)23-13-28;1-13-10-28(12-22-13)16-8-7-14(23-19(16)29-6)15-11-30-20(24-15)25-18-9-17(21(2,3)4)26-27(18)5/h8-13H,7H2,1-6H3,(H,25,26);7-12H,1-6H3,(H,24,25).

What are the key properties of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 861.12 g/mol, XLogP of 9.45, 11 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 158296806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).