2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine

C83H127ClF9N21S11 — CID 158091320

About 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine

2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine (PubChem CID 158091320) has the molecular formula C83H127ClF9N21S11 and a molecular weight of 1978.25 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine.

Molecular Properties

• Compound Name: 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
• PubChem CID: 158091320
• Molecular Formula: C83H127ClF9N21S11
• Molecular Weight: 1978.25 g/mol
• Exact Mass: 1975.71
• IUPAC Name: 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
• SMILES: C.CCc1cnc(C)s1.CCc1cnc(Cl)s1.CCc1csc(C(C)C)n1.CCc1csc(C)n1.CCc1nc(C(C)(C)C)cs1.CCc1nc(C(C)(F)F)cs1.CCc1nc(C(F)(F)F)cs1.CCc1nc(C)c(F)s1.CCc1nc(C)ns1.CCc1nnc(C(C)(C)C)s1.CCn1cc(CN)cn1.Cc1cc(CN)nn1C.NCc1nsc(C(F)(F)F)n1
• InChI: InChI=1S/C9H15NS.C8H14N2S.C8H13NS.C7H9F2NS.C6H6F3NS.C6H8FNS.2C6H11N3.2C6H9NS.C5H6ClNS.C5H8N2S.C4H4F3N3S.CH4/c1-5-8-10-7(6-11-8)9(2,3)4;1-5-6-9-10-7(11-6)8(2,3)4;1-4-7-5-10-8(9-7)6(2)3;1-3-6-10-5(4-11-6)7(2,8)9;1-2-5-10-4(3-11-5)6(7,8)9;1-3-5-8-4(2)6(7)9-5;1-5-3-6(4-7)8-9(5)2;1-2-9-5-6(3-7)4-8-9;1-3-6-4-8-5(2)7-6;1-3-6-4-7-5(2)8-6;1-2-4-3-7-5(6)8-4;1-3-5-6-4(2)7-8-5;5-4(6,7)3-9-2(1-8)10-11-3;/h6H,5H2,1-4H3;5H2,1-4H3;5-6H,4H2,1-3H3;4H,3H2,1-2H3;3H,2H2,1H3;3H2,1-2H3;3H,4,7H2,1-2H3;4-5H,2-3,7H2,1H3;2*4H,3H2,1-2H3;3H,2H2,1H3;3H2,1-2H3;1,8H2;1H4
• InChIKey: FODDZPDLWAWZJQ-UHFFFAOYSA-N
• XLogP: 25.92
• TPSA: 294.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1978.25
LogP ≤ 5	25.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine?

The IUPAC name of 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine (CID 158091320) is 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine.

What is the SMILES notation for 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine?

The canonical SMILES for 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine is C.CCc1cnc(C)s1.CCc1cnc(Cl)s1.CCc1csc(C(C)C)n1.CCc1csc(C)n1.CCc1nc(C(C)(C)C)cs1.CCc1nc(C(C)(F)F)cs1.CCc1nc(C(F)(F)F)cs1.CCc1nc(C)c(F)s1.CCc1nc(C)ns1.CCc1nnc(C(C)(C)C)s1.CCn1cc(CN)cn1.Cc1cc(CN)nn1C.NCc1nsc(C(F)(F)F)n1.

What is the InChIKey of 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine?

The InChIKey is FODDZPDLWAWZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.C8H14N2S.C8H13NS.C7H9F2NS.C6H6F3NS.C6H8FNS.2C6H11N3.2C6H9NS.C5H6ClNS.C5H8N2S.C4H4F3N3S.CH4/c1-5-8-10-7(6-11-8)9(2,3)4;1-5-6-9-10-7(11-6)8(2,3)4;1-4-7-5-10-8(9-7)6(2)3;1-3-6-10-5(4-11-6)7(2,8)9;1-2-5-10-4(3-11-5)6(7,8)9;1-3-5-8-4(2)6(7)9-5;1-5-3-6(4-7)8-9(5)2;1-2-9-5-6(3-7)4-8-9;1-3-6-4-8-5(2)7-6;1-3-6-4-7-5(2)8-6;1-2-4-3-7-5(6)8-4;1-3-5-6-4(2)7-8-5;5-4(6,7)3-9-2(1-8)10-11-3;/h6H,5H2,1-4H3;5H2,1-4H3;5-6H,4H2,1-3H3;4H,3H2,1-2H3;3H,2H2,1H3;3H2,1-2H3;3H,4,7H2,1-2H3;4-5H,2-3,7H2,1H3;2*4H,3H2,1-2H3;3H,2H2,1H3;3H2,1-2H3;1,8H2;1H4.

What are the key properties of 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine?

2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine has a molecular weight of 1978.25 g/mol, XLogP of 25.92, 16 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-ethyl-1,3,4-thiadiazole;4-tert-butyl-2-ethyl-1,3-thiazole;2-chloro-5-ethyl-1,3-thiazole;4-(1,1-difluoroethyl)-2-ethyl-1,3-thiazole;(1,5-dimethylpyrazol-3-yl)methanamine;2-ethyl-5-fluoro-4-methyl-1,3-thiazole;5-ethyl-3-methyl-1,2,4-thiadiazole;4-ethyl-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;4-ethyl-2-propan-2-yl-1,3-thiazole;(1-ethylpyrazol-4-yl)methanamine;2-ethyl-4-(trifluoromethyl)-1,3-thiazole;methane;[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine is sourced from PubChem (CID 158091320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).