5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane

C95H127BBr2N12O12S7 — CID 160785383

About 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane

5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane (PubChem CID 160785383) has the molecular formula C95H127BBr2N12O12S7 and a molecular weight of 2024.22 g/mol. Its IUPAC name is 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane
• PubChem CID: 160785383
• Molecular Formula: C95H127BBr2N12O12S7
• Molecular Weight: 2024.22 g/mol
• Exact Mass: 2020.62
• IUPAC Name: 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane
• SMILES: C.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.CCCCC(CC)COC(=O)CCSc1cc(Br)cc(OC)c1.CCCCC(CC)COC(=O)CCSc1cc(OC)cc(-c2cnn(C3CC3)c2)c1.CCc1ncc(Br)s1.CCc1ncc(Sc2cc(OC)cc(-c3cnn(C4CC4)c3)c2)s1.COc1cc(-c2cnn(C3CC3)c2)cc(S(=O)(=O)c2cnc(CN)s2)c1
• InChI: InChI=1S/C24H34N2O3S.C18H27BrO3S.C18H19N3OS2.C17H18N4O3S2.C12H19BN2O2.C5H6BrNS.CH4/c1-4-6-7-18(5-2)17-29-24(27)10-11-30-23-13-19(12-22(14-23)28-3)20-15-25-26(16-20)21-8-9-21;1-4-6-7-14(5-2)13-22-18(20)8-9-23-17-11-15(19)10-16(12-17)21-3;1-3-17-19-10-18(24-17)23-16-7-12(6-15(8-16)22-2)13-9-20-21(11-13)14-4-5-14;1-24-14-4-11(12-8-20-21(10-12)13-2-3-13)5-15(6-14)26(22,23)17-9-19-16(7-18)25-17;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-2-5-7-3-4(6)8-5;/h12-16,18,21H,4-11,17H2,1-3H3;10-12,14H,4-9,13H2,1-3H3;6-11,14H,3-5H2,1-2H3;4-6,8-10,13H,2-3,7,18H2,1H3;7-8,10H,5-6H2,1-4H3;3H,2H2,1H3;1H4
• InChIKey: SBDCVQUTZYVFLL-UHFFFAOYSA-N
• XLogP: 24.16
• TPSA: 278.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 39
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2024.22
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane?

The IUPAC name of 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane (CID 160785383) is 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane.

What is the SMILES notation for 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane?

The canonical SMILES for 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane is C.CC1(C)OB(c2cnn(C3CC3)c2)OC1(C)C.CCCCC(CC)COC(=O)CCSc1cc(Br)cc(OC)c1.CCCCC(CC)COC(=O)CCSc1cc(OC)cc(-c2cnn(C3CC3)c2)c1.CCc1ncc(Br)s1.CCc1ncc(Sc2cc(OC)cc(-c3cnn(C4CC4)c3)c2)s1.COc1cc(-c2cnn(C3CC3)c2)cc(S(=O)(=O)c2cnc(CN)s2)c1.

What is the InChIKey of 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane?

The InChIKey is SBDCVQUTZYVFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S.C18H27BrO3S.C18H19N3OS2.C17H18N4O3S2.C12H19BN2O2.C5H6BrNS.CH4/c1-4-6-7-18(5-2)17-29-24(27)10-11-30-23-13-19(12-22(14-23)28-3)20-15-25-26(16-20)21-8-9-21;1-4-6-7-14(5-2)13-22-18(20)8-9-23-17-11-15(19)10-16(12-17)21-3;1-3-17-19-10-18(24-17)23-16-7-12(6-15(8-16)22-2)13-9-20-21(11-13)14-4-5-14;1-24-14-4-11(12-8-20-21(10-12)13-2-3-13)5-15(6-14)26(22,23)17-9-19-16(7-18)25-17;1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10;1-2-5-7-3-4(6)8-5;/h12-16,18,21H,4-11,17H2,1-3H3;10-12,14H,4-9,13H2,1-3H3;6-11,14H,3-5H2,1-2H3;4-6,8-10,13H,2-3,7,18H2,1H3;7-8,10H,5-6H2,1-4H3;3H,2H2,1H3;1H4.

What are the key properties of 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane?

5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane has a molecular weight of 2024.22 g/mol, XLogP of 24.16, 39 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethyl-1,3-thiazole;5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanyl-2-ethyl-1,3-thiazole;[5-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-ethylhexyl 3-(3-bromo-5-methoxyphenyl)sulfanylpropanoate;2-ethylhexyl 3-[3-(1-cyclopropylpyrazol-4-yl)-5-methoxyphenyl]sulfanylpropanoate;methane is sourced from PubChem (CID 160785383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).