[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C78H100N10O5S4 — CID 157323946

IUPAC[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2csc(-c3ccncc3)c2)C1.CC1(C)CC2CC(C)(CN2C(=O)c2csc(-c3cn[nH]c3)c2)C1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cs1.Cc1noc(C)c1-c1cc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cs1
InChIInChI=1S/C20H27N3OS.C20H26N2O2S.C20H24N2OS.C18H23N3OS/c1-12-17(13(2)22-21-12)16-6-14(9-25-16)18(24)23-11-20(5)8-15(23)7-19(3,4)10-20;1-12-17(13(2)24-21-12)16-6-14(9-25-16)18(23)22-11-20(5)8-15(22)7-19(3,4)10-20;1-19(2)9-16-10-20(3,12-19)13-22(16)18(23)15-8-17(24-11-15)14-4-6-21-7-5-14;1-17(2)5-14-6-18(3,10-17)11-21(14)16(22)12-4-15(23-9-12)13-7-19-20-8-13/h6,9,15H,7-8,10-11H2,1-5H3,(H,21,22);6,9,15H,7-8,10-11H2,1-5H3;4-8,11,16H,9-10,12-13H2,1-3H3;4,7-9,14H,5-6,10-11H2,1-3H3,(H,19,20)
InChIKeyBEMKGTRHTHKMLM-UHFFFAOYSA-N
MW1385.99 g/mol
LogP18.89
Rot. Bonds8

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 157323946) has the molecular formula C78H100N10O5S4 and a molecular weight of 1385.99 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID157323946
Molecular FormulaC78H100N10O5S4
Molecular Weight1385.99 g/mol
Exact Mass1384.68
IUPAC Name[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2csc(-c3ccncc3)c2)C1.CC1(C)CC2CC(C)(CN2C(=O)c2csc(-c3cn[nH]c3)c2)C1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cs1.Cc1noc(C)c1-c1cc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cs1
InChIInChI=1S/C20H27N3OS.C20H26N2O2S.C20H24N2OS.C18H23N3OS/c1-12-17(13(2)22-21-12)16-6-14(9-25-16)18(24)23-11-20(5)8-15(23)7-19(3,4)10-20;1-12-17(13(2)24-21-12)16-6-14(9-25-16)18(23)22-11-20(5)8-15(22)7-19(3,4)10-20;1-19(2)9-16-10-20(3,12-19)13-22(16)18(23)15-8-17(24-11-15)14-4-6-21-7-5-14;1-17(2)5-14-6-18(3,10-17)11-21(14)16(22)12-4-15(23-9-12)13-7-19-20-8-13/h6,9,15H,7-8,10-11H2,1-5H3,(H,21,22);6,9,15H,7-8,10-11H2,1-5H3;4-8,11,16H,9-10,12-13H2,1-3H3;4,7-9,14H,5-6,10-11H2,1-3H3,(H,19,20)
InChIKeyBEMKGTRHTHKMLM-UHFFFAOYSA-N
XLogP18.89
TPSA177.52 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.99
LogP ≤ 518.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 157323946) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is CC1(C)CC2CC(C)(CN2C(=O)c2csc(-c3ccncc3)c2)C1.CC1(C)CC2CC(C)(CN2C(=O)c2csc(-c3cn[nH]c3)c2)C1.Cc1n[nH]c(C)c1-c1cc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cs1.Cc1noc(C)c1-c1cc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cs1.
What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is BEMKGTRHTHKMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS.C20H26N2O2S.C20H24N2OS.C18H23N3OS/c1-12-17(13(2)22-21-12)16-6-14(9-25-16)18(24)23-11-20(5)8-15(23)7-19(3,4)10-20;1-12-17(13(2)24-21-12)16-6-14(9-25-16)18(23)22-11-20(5)8-15(22)7-19(3,4)10-20;1-19(2)9-16-10-20(3,12-19)13-22(16)18(23)15-8-17(24-11-15)14-4-6-21-7-5-14;1-17(2)5-14-6-18(3,10-17)11-21(14)16(22)12-4-15(23-9-12)13-7-19-20-8-13/h6,9,15H,7-8,10-11H2,1-5H3,(H,21,22);6,9,15H,7-8,10-11H2,1-5H3;4-8,11,16H,9-10,12-13H2,1-3H3;4,7-9,14H,5-6,10-11H2,1-3H3,(H,19,20).
What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 1385.99 g/mol, XLogP of 18.89, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;(5-pyridin-4-ylthiophen-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 157323946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).