2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole

C30H30N4S2 — CID 101463998

IUPAC2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCC1(C)[C@H]2Cc3nc(-c4nc(-c5csc(-c6ccc7c(n6)C[C@H]6C[C@@H]7C6(C)C)n5)cs4)ccc3[C@@H]1C2
InChIInChI=1S/C30H30N4S2/c1-29(2)15-9-19(29)17-5-7-21(31-23(17)11-15)27-33-25(13-35-27)26-14-36-28(34-26)22-8-6-18-20-10-16(30(20,3)4)12-24(18)32-22/h5-8,13-16,19-20H,9-12H2,1-4H3/t15-,16-,19+,20+/m1/s1
InChIKeyALDYVPMHHWKEJW-YKCBXCCJSA-N
MW510.73 g/mol
LogP7.76
Rot. Bonds3

About 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole

2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole (PubChem CID 101463998) has the molecular formula C30H30N4S2 and a molecular weight of 510.73 g/mol. Its IUPAC name is 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole
PubChem CID101463998
Molecular FormulaC30H30N4S2
Molecular Weight510.73 g/mol
Exact Mass510.19
IUPAC Name2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCC1(C)[C@H]2Cc3nc(-c4nc(-c5csc(-c6ccc7c(n6)C[C@H]6C[C@@H]7C6(C)C)n5)cs4)ccc3[C@@H]1C2
InChIInChI=1S/C30H30N4S2/c1-29(2)15-9-19(29)17-5-7-21(31-23(17)11-15)27-33-25(13-35-27)26-14-36-28(34-26)22-8-6-18-20-10-16(30(20,3)4)12-24(18)32-22/h5-8,13-16,19-20H,9-12H2,1-4H3/t15-,16-,19+,20+/m1/s1
InChIKeyALDYVPMHHWKEJW-YKCBXCCJSA-N
XLogP7.76
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.73
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole (CID 101463998) is 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole is CC1(C)[C@H]2Cc3nc(-c4nc(-c5csc(-c6ccc7c(n6)C[C@H]6C[C@@H]7C6(C)C)n5)cs4)ccc3[C@@H]1C2.
What is the InChIKey of 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole?
The InChIKey is ALDYVPMHHWKEJW-YKCBXCCJSA-N. The full InChI is InChI=1S/C30H30N4S2/c1-29(2)15-9-19(29)17-5-7-21(31-23(17)11-15)27-33-25(13-35-27)26-14-36-28(34-26)22-8-6-18-20-10-16(30(20,3)4)12-24(18)32-22/h5-8,13-16,19-20H,9-12H2,1-4H3/t15-,16-,19+,20+/m1/s1.
What are the key properties of 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole?
2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole has a molecular weight of 510.73 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-4-[2-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-1,3-thiazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 101463998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).